2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile

C19H22N2 — CID 11403204

IUPAC2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile
SMILESC=CC[C@@]1(C(C#N)C#N)c2ccccc2CC[C@@H]1C(C)C
InChIInChI=1S/C19H22N2/c1-4-11-19(16(12-20)13-21)17(14(2)3)10-9-15-7-5-6-8-18(15)19/h4-8,14,16-17H,1,9-11H2,2-3H3/t17-,19+/m1/s1
InChIKeyGIQADXDHADYNBG-MJGOQNOKSA-N
MW278.40 g/mol
LogP4.38
Rot. Bonds4

About 2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile

2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile (PubChem CID 11403204) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile.

Molecular Properties

Compound Name2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile
PubChem CID11403204
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile
SMILESC=CC[C@@]1(C(C#N)C#N)c2ccccc2CC[C@@H]1C(C)C
InChIInChI=1S/C19H22N2/c1-4-11-19(16(12-20)13-21)17(14(2)3)10-9-15-7-5-6-8-18(15)19/h4-8,14,16-17H,1,9-11H2,2-3H3/t17-,19+/m1/s1
InChIKeyGIQADXDHADYNBG-MJGOQNOKSA-N
XLogP4.38
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile
CID 101147170
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene
CID 172756052
3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene
CID 173371645
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172
3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene
CID 22975328
(E)-3-(2-prop-2-enyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)prop-2-en-1-ol
CID 19079047
(2S)-2-ethenyl-3,4-dihydro-2H-chromene
CID 57124320
1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70071453
(1S)-1-[(2S)-3-(diethylamino)-2-methylpropyl]-3,4-dihydroisochromene-1-carbonitrile
CID 1096888
4,4-bis(prop-2-enyl)-1H-naphthalene
CID 10353080

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile?
The IUPAC name of 2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile (CID 11403204) is 2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile.
What is the SMILES notation for 2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile?
The canonical SMILES for 2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile is C=CC[C@@]1(C(C#N)C#N)c2ccccc2CC[C@@H]1C(C)C.
What is the InChIKey of 2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile?
The InChIKey is GIQADXDHADYNBG-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H22N2/c1-4-11-19(16(12-20)13-21)17(14(2)3)10-9-15-7-5-6-8-18(15)19/h4-8,14,16-17H,1,9-11H2,2-3H3/t17-,19+/m1/s1.
What are the key properties of 2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile?
2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile has a molecular weight of 278.40 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile is sourced from PubChem (CID 11403204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).