2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile

C24H33N — CID 143172952

IUPAC2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile
SMILESC=C/C=C1/CCC2C(CCC3(C)C(C(=C)C#N)CCC23)C1(C)/C=C\C
InChIInChI=1S/C24H33N/c1-6-8-18-9-10-19-21-12-11-20(17(3)16-25)24(21,5)15-13-22(19)23(18,4)14-7-2/h6-8,14,19-22H,1,3,9-13,15H2,2,4-5H3/b14-7-,18-8-
InChIKeyDIQFWGXJSPQINE-SIZMJIRJSA-N
MW335.54 g/mol
LogP6.61
Rot. Bonds3

About 2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile

2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile (PubChem CID 143172952) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile.

Molecular Properties

Compound Name2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile
PubChem CID143172952
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile
SMILESC=C/C=C1/CCC2C(CCC3(C)C(C(=C)C#N)CCC23)C1(C)/C=C\C
InChIInChI=1S/C24H33N/c1-6-8-18-9-10-19-21-12-11-20(17(3)16-25)24(21,5)15-13-22(19)23(18,4)14-7-2/h6-8,14,19-22H,1,3,9-13,15H2,2,4-5H3/b14-7-,18-8-
InChIKeyDIQFWGXJSPQINE-SIZMJIRJSA-N
XLogP6.61
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile with MolForge

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Related Compounds

(2Z)-2-[(3S,6R)-3-acetyl-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-ylidene]acetaldehyde
CID 142077757
(2Z)-2-[(2R)-2,3,3a,6-tetramethyl-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-ylidene]acetaldehyde
CID 143830362
(7Z)-3-but-1-en-2-yl-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-2,3,4,5,5a,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-9a-amine
CID 166824733
[(E)-1-[(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]ethylideneamino]oxycarbamic acid
CID 168883622
fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile
CID 162688008
1-[(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]ethanimine;2-ethylpiperidine;formaldehyde;methanamine;methanol
CID 168883992
1-[(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-N-(6-fluoro-6-methyloctyl)ethanimine
CID 168883709
3-[1-[(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]ethylideneamino]-N-methyl-N-(2-pyrrolidin-2-ylethyl)prop-1-en-2-amine;methane
CID 168883641
(9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carbonitrile
CID 134970664
(10R,13S,17S)-10,13-dimethyl-17-penta-2,3-dien-2-yl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 54258711
N-[3-[1-[(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]ethylideneamino]prop-1-en-2-yl]-2-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 168883722
2-[1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethylidene]propanedinitrile
CID 71481909

Frequently Asked Questions

What is the IUPAC name of 2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile?
The IUPAC name of 2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile (CID 143172952) is 2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile.
What is the SMILES notation for 2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile?
The canonical SMILES for 2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile is C=C/C=C1/CCC2C(CCC3(C)C(C(=C)C#N)CCC23)C1(C)/C=C\C.
What is the InChIKey of 2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile?
The InChIKey is DIQFWGXJSPQINE-SIZMJIRJSA-N. The full InChI is InChI=1S/C24H33N/c1-6-8-18-9-10-19-21-12-11-20(17(3)16-25)24(21,5)15-13-22(19)23(18,4)14-7-2/h6-8,14,19-22H,1,3,9-13,15H2,2,4-5H3/b14-7-,18-8-.
What are the key properties of 2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile?
2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile has a molecular weight of 335.54 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7Z)-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-7-prop-2-enylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]prop-2-enenitrile is sourced from PubChem (CID 143172952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).