N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride

C7H13Cl2NO — CID 154729530

IUPACN-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride
SMILESCN(C(=O)Cl)C1CCCC1.Cl
InChIInChI=1S/C7H12ClNO.ClH/c1-9(7(8)10)6-4-2-3-5-6;/h6H,2-5H2,1H3;1H
InChIKeyVKXOVXQSOSXEJU-UHFFFAOYSA-N
MW198.09 g/mol
LogP2.64
Rot. Bonds1

About N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride

N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride (PubChem CID 154729530) has the molecular formula C7H13Cl2NO and a molecular weight of 198.09 g/mol. Its IUPAC name is N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride
PubChem CID154729530
Molecular FormulaC7H13Cl2NO
Molecular Weight198.09 g/mol
Exact Mass197.04
IUPAC NameN-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride
SMILESCN(C(=O)Cl)C1CCCC1.Cl
InChIInChI=1S/C7H12ClNO.ClH/c1-9(7(8)10)6-4-2-3-5-6;/h6H,2-5H2,1H3;1H
InChIKeyVKXOVXQSOSXEJU-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Methyl(pentyl)carbamyl chloride
CID 15209943
N-cyclopentyl-N-methylcarbamoyl chloride
CID 19070632
N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride
CID 105451151
N-cyclopentyl-N-ethylcarbamoyl chloride
CID 15335411
N-cyclopentyl-N-propylcarbamoyl chloride
CID 15335412
N-cyclopentyl-N-propan-2-ylcarbamoyl chloride
CID 19080197
2-Methylpyrrolidine-1-carbonyl chloride
CID 79880988
(2R)-2-methylpyrrolidine-1-carbonyl chloride
CID 91451065
N-methyl-N-pentan-3-ylcarbamoyl chloride
CID 79887250
N-methyl-N-pentan-2-ylcarbamoyl chloride
CID 79887251
N-cyclopentyl-N-(2-methylpropyl)carbamoyl chloride
CID 80214050
(2S)-2-methylpyrrolidine-1-carbonyl chloride
CID 129371979

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride?
The IUPAC name of N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride (CID 154729530) is N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride.
What is the SMILES notation for N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride?
The canonical SMILES for N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride is CN(C(=O)Cl)C1CCCC1.Cl.
What is the InChIKey of N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride?
The InChIKey is VKXOVXQSOSXEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO.ClH/c1-9(7(8)10)6-4-2-3-5-6;/h6H,2-5H2,1H3;1H.
What are the key properties of N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride?
N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride has a molecular weight of 198.09 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methylcarbamoyl chloride;hydrochloride is sourced from PubChem (CID 154729530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).