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

C17H18N2 — CID 101147170

IUPAC2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile
SMILESC=CC[C@@]1(C(C#N)C#N)c2ccccc2CCC1C
InChIInChI=1S/C17H18N2/c1-3-10-17(15(11-18)12-19)13(2)8-9-14-6-4-5-7-16(14)17/h3-7,13,15H,1,8-10H2,2H3/t13?,17-/m1/s1
InChIKeyLOUROCKOTXZZGK-LRHAYUFXSA-N
MW250.34 g/mol
LogP3.75
Rot. Bonds3

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

2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile (PubChem CID 101147170) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile.

Molecular Properties

Compound Name2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile
PubChem CID101147170
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile
SMILESC=CC[C@@]1(C(C#N)C#N)c2ccccc2CCC1C
InChIInChI=1S/C17H18N2/c1-3-10-17(15(11-18)12-19)13(2)8-9-14-6-4-5-7-16(14)17/h3-7,13,15H,1,8-10H2,2H3/t13?,17-/m1/s1
InChIKeyLOUROCKOTXZZGK-LRHAYUFXSA-N
XLogP3.75
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R,2R)-2-propan-2-yl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile
CID 11403204
4-(4-methoxyphenyl)-3-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene
CID 172756052
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene
CID 173371645
2-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-ol
CID 15438933
(4S)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,2-oxazole]
CID 58433202
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172
7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 142185328
(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
1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70071453
3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine
CID 75162996
3,3-bis(3-methylbut-2-enyl)-1,2-dihydroindene
CID 91599532

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile?
The IUPAC name of 2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile (CID 101147170) is 2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile.
What is the SMILES notation for 2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile?
The canonical SMILES for 2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile is C=CC[C@@]1(C(C#N)C#N)c2ccccc2CCC1C.
What is the InChIKey of 2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile?
The InChIKey is LOUROCKOTXZZGK-LRHAYUFXSA-N. The full InChI is InChI=1S/C17H18N2/c1-3-10-17(15(11-18)12-19)13(2)8-9-14-6-4-5-7-16(14)17/h3-7,13,15H,1,8-10H2,2H3/t13?,17-/m1/s1.
What are the key properties of 2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile?
2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile has a molecular weight of 250.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-yl]propanedinitrile is sourced from PubChem (CID 101147170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).