N-(3-oxopentan-2-yl)carbamoyl chloride

C6H10ClNO2 — CID 155280819

IUPACN-(3-oxopentan-2-yl)carbamoyl chloride
SMILESCCC(=O)C(C)NC(=O)Cl
InChIInChI=1S/C6H10ClNO2/c1-3-5(9)4(2)8-6(7)10/h4H,3H2,1-2H3,(H,8,10)
InChIKeySLHUOVRKXVSKDR-UHFFFAOYSA-N
MW163.60 g/mol
LogP1.30
Rot. Bonds3

About N-(3-oxopentan-2-yl)carbamoyl chloride

N-(3-oxopentan-2-yl)carbamoyl chloride (PubChem CID 155280819) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is N-(3-oxopentan-2-yl)carbamoyl chloride.

Molecular Properties

Compound NameN-(3-oxopentan-2-yl)carbamoyl chloride
PubChem CID155280819
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC NameN-(3-oxopentan-2-yl)carbamoyl chloride
SMILESCCC(=O)C(C)NC(=O)Cl
InChIInChI=1S/C6H10ClNO2/c1-3-5(9)4(2)8-6(7)10/h4H,3H2,1-2H3,(H,8,10)
InChIKeySLHUOVRKXVSKDR-UHFFFAOYSA-N
XLogP1.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-oxopentan-2-yl)propanamide
CID 64991731
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603
(2R)-2-(propan-2-ylamino)pentan-3-one
CID 89390252
1-tert-butyl-3-(3-oxopentan-2-yl)urea
CID 64994030
3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide
CID 64997000
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid
CID 89296216
(2S)-2-(sulfanylmethylamino)pentan-3-one
CID 118548242
N-(1-chloroethyl)carbamoyl chloride
CID 12573467
1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea
CID 64993875
N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
CID 166130167
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894

Frequently Asked Questions

What is the IUPAC name of N-(3-oxopentan-2-yl)carbamoyl chloride?
The IUPAC name of N-(3-oxopentan-2-yl)carbamoyl chloride (CID 155280819) is N-(3-oxopentan-2-yl)carbamoyl chloride.
What is the SMILES notation for N-(3-oxopentan-2-yl)carbamoyl chloride?
The canonical SMILES for N-(3-oxopentan-2-yl)carbamoyl chloride is CCC(=O)C(C)NC(=O)Cl.
What is the InChIKey of N-(3-oxopentan-2-yl)carbamoyl chloride?
The InChIKey is SLHUOVRKXVSKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2/c1-3-5(9)4(2)8-6(7)10/h4H,3H2,1-2H3,(H,8,10).
What are the key properties of N-(3-oxopentan-2-yl)carbamoyl chloride?
N-(3-oxopentan-2-yl)carbamoyl chloride has a molecular weight of 163.60 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxopentan-2-yl)carbamoyl chloride is sourced from PubChem (CID 155280819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).