2-chloro-N-cyclopent-3-en-1-ylpropanamide

C8H12ClNO — CID 115879969

IUPAC2-chloro-N-cyclopent-3-en-1-ylpropanamide
SMILESCC(Cl)C(=O)NC1CC=CC1
InChIInChI=1S/C8H12ClNO/c1-6(9)8(11)10-7-4-2-3-5-7/h2-3,6-7H,4-5H2,1H3,(H,10,11)
InChIKeyXHUBAOZNPQXDEQ-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.45
Rot. Bonds2

About 2-chloro-N-cyclopent-3-en-1-ylpropanamide

2-chloro-N-cyclopent-3-en-1-ylpropanamide (PubChem CID 115879969) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 2-chloro-N-cyclopent-3-en-1-ylpropanamide.

Molecular Properties

Compound Name2-chloro-N-cyclopent-3-en-1-ylpropanamide
PubChem CID115879969
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name2-chloro-N-cyclopent-3-en-1-ylpropanamide
SMILESCC(Cl)C(=O)NC1CC=CC1
InChIInChI=1S/C8H12ClNO/c1-6(9)8(11)10-7-4-2-3-5-7/h2-3,6-7H,4-5H2,1H3,(H,10,11)
InChIKeyXHUBAOZNPQXDEQ-UHFFFAOYSA-N
XLogP1.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-cyclopent-3-en-1-ylpropanamide
CID 104863900
2-chloro-N-(3-methylcyclopentyl)propanamide
CID 114544468
1-cyclopent-3-en-1-yl-3-methylurea
CID 115695215
2-chloro-N-(1-ethylazetidin-3-yl)propanamide
CID 130743789
2-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)propanamide
CID 165458219
(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide
CID 79013984
N-cyclopent-3-en-1-yl-3-(methylamino)cyclobutane-1-carboxamide
CID 164651418
N-cyclopent-3-en-1-ylcyclopropanecarboxamide
CID 115696635
(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
CID 103950535
2-chloro-N-(cyclohexylcarbamoyl)propanamide
CID 3827198
(2R)-2-chloro-N-methylpropanamide
CID 7130812
N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide
CID 130669858

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopent-3-en-1-ylpropanamide?
The IUPAC name of 2-chloro-N-cyclopent-3-en-1-ylpropanamide (CID 115879969) is 2-chloro-N-cyclopent-3-en-1-ylpropanamide.
What is the SMILES notation for 2-chloro-N-cyclopent-3-en-1-ylpropanamide?
The canonical SMILES for 2-chloro-N-cyclopent-3-en-1-ylpropanamide is CC(Cl)C(=O)NC1CC=CC1.
What is the InChIKey of 2-chloro-N-cyclopent-3-en-1-ylpropanamide?
The InChIKey is XHUBAOZNPQXDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO/c1-6(9)8(11)10-7-4-2-3-5-7/h2-3,6-7H,4-5H2,1H3,(H,10,11).
What are the key properties of 2-chloro-N-cyclopent-3-en-1-ylpropanamide?
2-chloro-N-cyclopent-3-en-1-ylpropanamide has a molecular weight of 173.64 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopent-3-en-1-ylpropanamide is sourced from PubChem (CID 115879969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).