2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile

C14H10N2 — CID 2825904

IUPAC2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile
SMILESN#CCc1ccc2cc(CC#N)ccc2c1
InChIInChI=1S/C14H10N2/c15-7-5-11-1-3-13-10-12(6-8-16)2-4-14(13)9-11/h1-4,9-10H,5-6H2
InChIKeyRZWVWBONNSEWDU-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.97
Rot. Bonds2

About 2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile

2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile (PubChem CID 2825904) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile
PubChem CID2825904
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile
SMILESN#CCc1ccc2cc(CC#N)ccc2c1
InChIInChI=1S/C14H10N2/c15-7-5-11-1-3-13-10-12(6-8-16)2-4-14(13)9-11/h1-4,9-10H,5-6H2
InChIKeyRZWVWBONNSEWDU-UHFFFAOYSA-N
XLogP2.97
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile?
The IUPAC name of 2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile (CID 2825904) is 2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile.
What is the SMILES notation for 2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile?
The canonical SMILES for 2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile is N#CCc1ccc2cc(CC#N)ccc2c1.
What is the InChIKey of 2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile?
The InChIKey is RZWVWBONNSEWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c15-7-5-11-1-3-13-10-12(6-8-16)2-4-14(13)9-11/h1-4,9-10H,5-6H2.
What are the key properties of 2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile?
2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile has a molecular weight of 206.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyanomethyl)naphthalen-2-yl]acetonitrile is sourced from PubChem (CID 2825904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).