2-chloro-3-oxopentanamide

C5H8ClNO2 — CID 57232001

IUPAC2-chloro-3-oxopentanamide
SMILESCCC(=O)C(Cl)C(N)=O
InChIInChI=1S/C5H8ClNO2/c1-2-3(8)4(6)5(7)9/h4H,2H2,1H3,(H2,7,9)
InChIKeyAPIIPHGZJFDIIO-UHFFFAOYSA-N
MW149.58 g/mol
LogP0.06
Rot. Bonds3

About 2-chloro-3-oxopentanamide

2-chloro-3-oxopentanamide (PubChem CID 57232001) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is 2-chloro-3-oxopentanamide.

Molecular Properties

Compound Name2-chloro-3-oxopentanamide
PubChem CID57232001
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name2-chloro-3-oxopentanamide
SMILESCCC(=O)C(Cl)C(N)=O
InChIInChI=1S/C5H8ClNO2/c1-2-3(8)4(6)5(7)9/h4H,2H2,1H3,(H2,7,9)
InChIKeyAPIIPHGZJFDIIO-UHFFFAOYSA-N
XLogP0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-chloro-3-oxobutanamide
CID 98075888
1-chloro-1-iodobutan-2-one
CID 89107344
2-cyano-3-oxopentanamide
CID 174475780
2-aminopentan-3-one
CID 10986165
(3R)-3-amino-4-oxohexanamide
CID 139478456
propanoyl chloride;urea
CID 174974689
4-hydroxy-5,5-dimethylhexan-3-one
CID 12692178
1,1-dichloroethane;urea
CID 158856998
methane;propanamide
CID 160666730
(4R)-4-amino-5-methylhexan-3-one
CID 88898778
(2S)-1,2-diaminopentan-3-one
CID 88560983
(2R)-2-amino-1-hydroxypentan-3-one
CID 146364996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-oxopentanamide?
The IUPAC name of 2-chloro-3-oxopentanamide (CID 57232001) is 2-chloro-3-oxopentanamide.
What is the SMILES notation for 2-chloro-3-oxopentanamide?
The canonical SMILES for 2-chloro-3-oxopentanamide is CCC(=O)C(Cl)C(N)=O.
What is the InChIKey of 2-chloro-3-oxopentanamide?
The InChIKey is APIIPHGZJFDIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO2/c1-2-3(8)4(6)5(7)9/h4H,2H2,1H3,(H2,7,9).
What are the key properties of 2-chloro-3-oxopentanamide?
2-chloro-3-oxopentanamide has a molecular weight of 149.58 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-oxopentanamide is sourced from PubChem (CID 57232001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).