2-chloro-N-(cyclohexen-1-yl)acetamide

C8H12ClNO — CID 22251791

IUPAC2-chloro-N-(cyclohexen-1-yl)acetamide
SMILESO=C(CCl)NC1=CCCCC1
InChIInChI=1S/C8H12ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H,10,11)
InChIKeyYTWKCBYYGUJDQD-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.80
Rot. Bonds2

About 2-chloro-N-(cyclohexen-1-yl)acetamide

2-chloro-N-(cyclohexen-1-yl)acetamide (PubChem CID 22251791) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexen-1-yl)acetamide
PubChem CID22251791
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name2-chloro-N-(cyclohexen-1-yl)acetamide
SMILESO=C(CCl)NC1=CCCCC1
InChIInChI=1S/C8H12ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H,10,11)
InChIKeyYTWKCBYYGUJDQD-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cycloocten-1-ylurea
CID 154107907
2-(cyclohexen-1-ylamino)ethanol
CID 54095999
1,2-di(cyclohexen-1-yl)hydrazine
CID 162410635
N-(cyclopenten-1-yl)prop-2-enamide
CID 130013506
3-(cyclohexen-1-ylamino)oxypropanoic acid
CID 57306132
N-(cyclopenten-1-yl)but-2-ynamide
CID 140985868
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
N'-(cyclohexen-1-yl)-2-phenoxyacetohydrazide
CID 4621301
methyl N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 135002029
3-chloro-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]propanamide
CID 103603928
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N'-(cyclohexen-1-yl)-2-(4-methylanilino)acetohydrazide
CID 5077247

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexen-1-yl)acetamide?
The IUPAC name of 2-chloro-N-(cyclohexen-1-yl)acetamide (CID 22251791) is 2-chloro-N-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(cyclohexen-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-(cyclohexen-1-yl)acetamide is O=C(CCl)NC1=CCCCC1.
What is the InChIKey of 2-chloro-N-(cyclohexen-1-yl)acetamide?
The InChIKey is YTWKCBYYGUJDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H,10,11).
What are the key properties of 2-chloro-N-(cyclohexen-1-yl)acetamide?
2-chloro-N-(cyclohexen-1-yl)acetamide has a molecular weight of 173.64 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 22251791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).