4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile

C15H13ClN2O — CID 133304579

IUPAC4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile
SMILESN#Cc1ccc(Cl)cc1N1CCCC1c1ccco1
InChIInChI=1S/C15H13ClN2O/c16-12-6-5-11(10-17)14(9-12)18-7-1-3-13(18)15-4-2-8-19-15/h2,4-6,8-9,13H,1,3,7H2
InChIKeyZGNYKCRSXSBJFP-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.15
Rot. Bonds2

About 4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile

4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile (PubChem CID 133304579) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile
PubChem CID133304579
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile
SMILESN#Cc1ccc(Cl)cc1N1CCCC1c1ccco1
InChIInChI=1S/C15H13ClN2O/c16-12-6-5-11(10-17)14(9-12)18-7-1-3-13(18)15-4-2-8-19-15/h2,4-6,8-9,13H,1,3,7H2
InChIKeyZGNYKCRSXSBJFP-UHFFFAOYSA-N
XLogP4.15
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2-ethylpyrrolidin-1-yl)benzonitrile
CID 63093407
7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline
CID 86962318
N-[[(3S)-1-(5-chloro-2-cyanophenyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 124726563
1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 63094081
4-chloro-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile
CID 56793477
3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine
CID 133304580
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
4-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63511425
ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate
CID 63093053
3-[2-(furan-2-yl)pyrrolidin-1-yl]-2-nitrobenzenesulfonamide
CID 86790963
5-fluoro-2-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine
CID 119040542
4-chloro-2-[3-(ethoxymethyl)piperidin-1-yl]benzonitrile
CID 133304344

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile?
The IUPAC name of 4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile (CID 133304579) is 4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile is N#Cc1ccc(Cl)cc1N1CCCC1c1ccco1.
What is the InChIKey of 4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile?
The InChIKey is ZGNYKCRSXSBJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-12-6-5-11(10-17)14(9-12)18-7-1-3-13(18)15-4-2-8-19-15/h2,4-6,8-9,13H,1,3,7H2.
What are the key properties of 4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile?
4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile has a molecular weight of 272.74 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 133304579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).