1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile

C14H16FN3 — CID 55139666

IUPAC1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile
SMILESN#CC1(Nc2cccc(F)c2)CCN(C2CC2)C1
InChIInChI=1S/C14H16FN3/c15-11-2-1-3-12(8-11)17-14(9-16)6-7-18(10-14)13-4-5-13/h1-3,8,13,17H,4-7,10H2
InChIKeyAAUPOLFKRGVZDU-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.37
Rot. Bonds3

About 1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile

1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile (PubChem CID 55139666) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile
PubChem CID55139666
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile
SMILESN#CC1(Nc2cccc(F)c2)CCN(C2CC2)C1
InChIInChI=1S/C14H16FN3/c15-11-2-1-3-12(8-11)17-14(9-16)6-7-18(10-14)13-4-5-13/h1-3,8,13,17H,4-7,10H2
InChIKeyAAUPOLFKRGVZDU-UHFFFAOYSA-N
XLogP2.37
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile
CID 114818285
4-(3-fluoroanilino)-1,1-dioxothiane-4-carbonitrile
CID 54982863
(2S,4R)-4-cyano-4-(3-fluoroanilino)-2-methylpiperidine-1-carboxylic acid
CID 69409369
1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
CID 115999177
4-(3-fluoroanilino)-2-methylpiperidine-4-carbonitrile
CID 68663847
benzyl (2S)-4-cyano-4-(3-fluoroanilino)-2-methylpiperidine-1-carboxylate
CID 66930475
benzyl (2S,4R)-4-cyano-4-(3-fluoroanilino)-2-methylpiperidine-1-carboxylate
CID 57475597
4-(3-chloroanilino)-1-methylpiperidine-4-carbonitrile
CID 54887111
1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64755334
1-(3-fluoroanilino)-2,4,4-trimethylcyclohexane-1-carbonitrile
CID 81320438
1-(1,2-dihydroacenaphthylen-1-yl)-4-(3-methoxyanilino)piperidine-4-carbonitrile
CID 18782402
1-(3-chloroanilino)-4,4-dimethylcycloheptane-1-carbonitrile
CID 65088439

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile?
The IUPAC name of 1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile (CID 55139666) is 1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile is N#CC1(Nc2cccc(F)c2)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile?
The InChIKey is AAUPOLFKRGVZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-11-2-1-3-12(8-11)17-14(9-16)6-7-18(10-14)13-4-5-13/h1-3,8,13,17H,4-7,10H2.
What are the key properties of 1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile?
1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile has a molecular weight of 245.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 55139666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).