N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide

C9H13FN2O — CID 130659187

IUPACN-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide
SMILESCC(C#N)NC(=O)C1(F)CCCC1
InChIInChI=1S/C9H13FN2O/c1-7(6-11)12-8(13)9(10)4-2-3-5-9/h7H,2-5H2,1H3,(H,12,13)
InChIKeyXQIPSAVCOFCNEE-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.30
Rot. Bonds2

About N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide

N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide (PubChem CID 130659187) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide
PubChem CID130659187
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC NameN-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide
SMILESCC(C#N)NC(=O)C1(F)CCCC1
InChIInChI=1S/C9H13FN2O/c1-7(6-11)12-8(13)9(10)4-2-3-5-9/h7H,2-5H2,1H3,(H,12,13)
InChIKeyXQIPSAVCOFCNEE-UHFFFAOYSA-N
XLogP1.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide 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

1-cyano-N-(3-fluorocyclopentyl)cyclobutane-1-carboxamide
CID 126773685
N-[(1S,3R)-3-cyanocyclopentyl]-3,3-difluorobutanamide
CID 164634296
3-fluoro-N-pentan-2-ylcyclopentane-1-carboxamide
CID 90155066
3,3-difluoro-N-pentan-2-ylcyclopentane-1-carboxamide
CID 90155068
3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide
CID 118332021
N-butan-2-yl-3-fluoro-3-methylcyclopentane-1-carboxamide
CID 123631512
3-fluoro-3-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 124130437
1-fluoro-N-propan-2-ylcyclopentane-1-carboxamide
CID 131177749
N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide
CID 144624793
1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 60718245
N-(2-cyanocyclopentyl)-3,3,3-trifluoropropanamide
CID 62962153
1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
CID 63226756

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide (CID 130659187) is N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide is CC(C#N)NC(=O)C1(F)CCCC1.
What is the InChIKey of N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide?
The InChIKey is XQIPSAVCOFCNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7(6-11)12-8(13)9(10)4-2-3-5-9/h7H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide?
N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide has a molecular weight of 184.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide is sourced from PubChem (CID 130659187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).