cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile

C15H15FN2O — CID 134964015

IUPACcis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESN#C[C@]1(C(=O)N2CCCC2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O/c16-12-5-3-11(4-6-12)13-9-15(13,10-17)14(19)18-7-1-2-8-18/h3-6,13H,1-2,7-9H2/t13-,15-/m1/s1
InChIKeyFWACQXPSMRHIDD-UKRRQHHQSA-N
MW258.30 g/mol
LogP2.45
Rot. Bonds2

About cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile

cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 134964015) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
PubChem CID134964015
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Namecis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESN#C[C@]1(C(=O)N2CCCC2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O/c16-12-5-3-11(4-6-12)13-9-15(13,10-17)14(19)18-7-1-2-8-18/h3-6,13H,1-2,7-9H2/t13-,15-/m1/s1
InChIKeyFWACQXPSMRHIDD-UKRRQHHQSA-N
XLogP2.45
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Spiro-carboxamide scaffold, 13
CID 44143299
Spiro-carboxamide scaffold, 7
CID 44143293
1-Methyl-4-phenylpyrrolidin-2-one
CID 12448963
Spiro-carboxamide scaffold, 8
CID 44143294
(4R)-1-methyl-4-phenylpyrrolidin-2-one
CID 89763096
N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide
CID 662280
(1-Phenylcyclopropyl)(pyrrolidin-1-yl)methanone
CID 57762795
7-(3-Fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155530914
7-(4-Fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155564723
2-(4-Fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 798502
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
2-Pyrrolidinone, 5-((4-fluorophenyl)methyl)-1,3,3-trimethyl-
CID 3024922

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile (CID 134964015) is cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile is N#C[C@]1(C(=O)N2CCCC2)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is FWACQXPSMRHIDD-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-12-5-3-11(4-6-12)13-9-15(13,10-17)14(19)18-7-1-2-8-18/h3-6,13H,1-2,7-9H2/t13-,15-/m1/s1.
What are the key properties of cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile?
cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 258.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 134964015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).