naphthalene-1-carbonitrile

C11H7N — CID 6846

IUPACnaphthalene-1-carbonitrile
SMILESN#Cc1cccc2ccccc12
InChIInChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H
InChIKeyYJMNOKOLADGBKA-UHFFFAOYSA-N
MW153.18 g/mol
LogP2.71
Rot. Bonds

About naphthalene-1-carbonitrile

naphthalene-1-carbonitrile (PubChem CID 6846) has the molecular formula C11H7N and a molecular weight of 153.18 g/mol. Its IUPAC name is naphthalene-1-carbonitrile.

Molecular Properties

Compound Namenaphthalene-1-carbonitrile
PubChem CID6846
Molecular FormulaC11H7N
Molecular Weight153.18 g/mol
Exact Mass153.06
IUPAC Namenaphthalene-1-carbonitrile
SMILESN#Cc1cccc2ccccc12
InChIInChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H
InChIKeyYJMNOKOLADGBKA-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1-carbonitrile?
The IUPAC name of naphthalene-1-carbonitrile (CID 6846) is naphthalene-1-carbonitrile.
What is the SMILES notation for naphthalene-1-carbonitrile?
The canonical SMILES for naphthalene-1-carbonitrile is N#Cc1cccc2ccccc12.
What is the InChIKey of naphthalene-1-carbonitrile?
The InChIKey is YJMNOKOLADGBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H.
What are the key properties of naphthalene-1-carbonitrile?
naphthalene-1-carbonitrile has a molecular weight of 153.18 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-carbonitrile is sourced from PubChem (CID 6846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).