N-(2-chloroprop-2-enyl)-4-oxopentanamide

C8H12ClNO2 — CID 115640756

IUPACN-(2-chloroprop-2-enyl)-4-oxopentanamide
SMILESC=C(Cl)CNC(=O)CCC(C)=O
InChIInChI=1S/C8H12ClNO2/c1-6(9)5-10-8(12)4-3-7(2)11/h1,3-5H2,2H3,(H,10,12)
InChIKeyYZGOTZMQIIMFQU-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.22
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-4-oxopentanamide

N-(2-chloroprop-2-enyl)-4-oxopentanamide (PubChem CID 115640756) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-4-oxopentanamide
PubChem CID115640756
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC NameN-(2-chloroprop-2-enyl)-4-oxopentanamide
SMILESC=C(Cl)CNC(=O)CCC(C)=O
InChIInChI=1S/C8H12ClNO2/c1-6(9)5-10-8(12)4-3-7(2)11/h1,3-5H2,2H3,(H,10,12)
InChIKeyYZGOTZMQIIMFQU-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-2-oxoethyl)sulfanyl-N-(2-chloroprop-2-enyl)propanamide
CID 115636966
N-(2-chloroprop-2-enyl)but-2-ynamide
CID 106741496
N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208987
N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide
CID 115636730
4-oxo-N-prop-2-ynylpentanamide
CID 60646238
3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide
CID 115637010
hexane-2,5-dione
CID 8035
3-(2-aminophenyl)-N-(2-chloroprop-2-enyl)propanamide
CID 107273388
ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide
CID 145117047
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
N-(4-hydroxybutyl)-4-oxopentanamide
CID 58331315
5-(ethylamino)hex-5-en-2-one
CID 170972328

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-4-oxopentanamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-4-oxopentanamide (CID 115640756) is N-(2-chloroprop-2-enyl)-4-oxopentanamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-4-oxopentanamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-4-oxopentanamide is C=C(Cl)CNC(=O)CCC(C)=O.
What is the InChIKey of N-(2-chloroprop-2-enyl)-4-oxopentanamide?
The InChIKey is YZGOTZMQIIMFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c1-6(9)5-10-8(12)4-3-7(2)11/h1,3-5H2,2H3,(H,10,12).
What are the key properties of N-(2-chloroprop-2-enyl)-4-oxopentanamide?
N-(2-chloroprop-2-enyl)-4-oxopentanamide has a molecular weight of 189.64 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-4-oxopentanamide is sourced from PubChem (CID 115640756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).