1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide

C9H13BrN2O — CID 131176934

IUPAC1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide
SMILESCC(C#N)NC(=O)C1(Br)CCCC1
InChIInChI=1S/C9H13BrN2O/c1-7(6-11)12-8(13)9(10)4-2-3-5-9/h7H,2-5H2,1H3,(H,12,13)
InChIKeyFOYLXRSDCJRNNO-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.72
Rot. Bonds2

About 1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide

1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide (PubChem CID 131176934) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide
PubChem CID131176934
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide
SMILESCC(C#N)NC(=O)C1(Br)CCCC1
InChIInChI=1S/C9H13BrN2O/c1-7(6-11)12-8(13)9(10)4-2-3-5-9/h7H,2-5H2,1H3,(H,12,13)
InChIKeyFOYLXRSDCJRNNO-UHFFFAOYSA-N
XLogP1.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide
CID 126996518
N-[(1R)-1-cyanoethyl]-1-fluorocyclopentane-1-carboxamide
CID 130621801
N-(1-cyanoethyl)-1-fluorocyclopentane-1-carboxamide
CID 130659187
N-[(1S)-1-cyanoethyl]-1-fluorocyclopentane-1-carboxamide
CID 130961989
N-[(1S)-1-cyanoethyl]-3-fluorocyclopentane-1-carboxamide
CID 131019574
N-(1-cyanopropyl)cyclopentanecarboxamide
CID 61121651
N-(1-cyanobutyl)cyclopentanecarboxamide
CID 61119104
N-(1-cyanoethyl)cyclopentanecarboxamide
CID 61121636
N-(1-cyanopropan-2-yl)cyclopentanecarboxamide
CID 62090096
N-(1-cyanobutan-2-yl)cyclopentanecarboxamide
CID 62647590
2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide
CID 62962724
2-bromo-N-(2-cyanocyclopentyl)butanamide
CID 62962905

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide (CID 131176934) is 1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide is CC(C#N)NC(=O)C1(Br)CCCC1.
What is the InChIKey of 1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide?
The InChIKey is FOYLXRSDCJRNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/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 1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide?
1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide has a molecular weight of 245.12 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 131176934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).