8aH-naphthalene-1-carbonitrile

C11H7N — CID 152748322

IUPAC8aH-naphthalene-1-carbonitrile
SMILESN#CC1=CC=C=C2C=CC=CC21
InChIInChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-4,6-7,11H
InChIKeyQWOFSMKUIRMIMD-UHFFFAOYSA-N
MW153.18 g/mol
LogP2.27
Rot. Bonds

About 8aH-naphthalene-1-carbonitrile

8aH-naphthalene-1-carbonitrile (PubChem CID 152748322) has the molecular formula C11H7N and a molecular weight of 153.18 g/mol. Its IUPAC name is 8aH-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name8aH-naphthalene-1-carbonitrile
PubChem CID152748322
Molecular FormulaC11H7N
Molecular Weight153.18 g/mol
Exact Mass153.06
IUPAC Name8aH-naphthalene-1-carbonitrile
SMILESN#CC1=CC=C=C2C=CC=CC21
InChIInChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-4,6-7,11H
InChIKeyQWOFSMKUIRMIMD-UHFFFAOYSA-N
XLogP2.27
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8aH-naphthalene-1-carboxylic acid
CID 176533924
8aH-naphthalene-1-carboxamide
CID 176517042
2,8b-dihydro-1H-acenaphthylene
CID 172975736
3-cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene
CID 166651091
7-oxabicyclo[4.1.0]hepta-2,4-diene-2-carbonitrile
CID 45120441
6-ethylidenecyclohexa-2,4-diene-1-carbonitrile
CID 174674334
cyclobutadienecarbonitrile
CID 101482689
4-cyclopenta-2,4-dien-1-ylbenzonitrile
CID 101062638
[6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone
CID 91802156
5-cyano-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
CID 151419917
5-formylcyclohepta-1,3-dien-6-yne-1-carbonitrile
CID 163579555
6-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile
CID 162559199

Frequently Asked Questions

What is the IUPAC name of 8aH-naphthalene-1-carbonitrile?
The IUPAC name of 8aH-naphthalene-1-carbonitrile (CID 152748322) is 8aH-naphthalene-1-carbonitrile.
What is the SMILES notation for 8aH-naphthalene-1-carbonitrile?
The canonical SMILES for 8aH-naphthalene-1-carbonitrile is N#CC1=CC=C=C2C=CC=CC21.
What is the InChIKey of 8aH-naphthalene-1-carbonitrile?
The InChIKey is QWOFSMKUIRMIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-4,6-7,11H.
What are the key properties of 8aH-naphthalene-1-carbonitrile?
8aH-naphthalene-1-carbonitrile has a molecular weight of 153.18 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-naphthalene-1-carbonitrile is sourced from PubChem (CID 152748322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).