2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile

C16H16N2 — CID 43802813

IUPAC2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile
SMILESN#CC(c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C16H16N2/c17-12-16(18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11,16H,3-4,9-10H2
InChIKeyFZGNVLIUSFZTDP-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.50
Rot. Bonds2

About 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile

2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile (PubChem CID 43802813) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile
PubChem CID43802813
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile
SMILESN#CC(c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C16H16N2/c17-12-16(18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11,16H,3-4,9-10H2
InChIKeyFZGNVLIUSFZTDP-UHFFFAOYSA-N
XLogP3.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile
CID 43802794
(2R)-2-(azepan-1-yl)-2-(3-hydroxyphenyl)acetonitrile
CID 9179426
2-pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107105039
2-(azepan-1-yl)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 63648803
2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 3126730
2-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-1-ylacetonitrile
CID 43804564
2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile
CID 65420095
2-(3-bromo-4-methoxyphenyl)-2-piperidin-1-ylacetonitrile
CID 61036586
2-(azepan-1-yl)-2-(3-nitrophenyl)acetonitrile
CID 84756567
2-(3-nitrophenyl)-2-piperidin-1-ylacetonitrile
CID 84757733
2-[4-[cyano-(3,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(3,4-dimethoxyphenyl)acetonitrile
CID 54298422
2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile
CID 43802881

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile?
The IUPAC name of 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile (CID 43802813) is 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile.
What is the SMILES notation for 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile?
The canonical SMILES for 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile is N#CC(c1ccc2ccccc2c1)N1CCCC1.
What is the InChIKey of 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile?
The InChIKey is FZGNVLIUSFZTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c17-12-16(18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11,16H,3-4,9-10H2.
What are the key properties of 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile?
2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile has a molecular weight of 236.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile is sourced from PubChem (CID 43802813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).