N-cyclopentyl-N-methylcarbamoyl chloride

C7H12ClNO — CID 19070632

IUPACN-cyclopentyl-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CCCC1
InChIInChI=1S/C7H12ClNO/c1-9(7(8)10)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeySUXDLDZKUQQCNZ-UHFFFAOYSA-N
MW161.63 g/mol
LogP2.22
Rot. Bonds1

About N-cyclopentyl-N-methylcarbamoyl chloride

N-cyclopentyl-N-methylcarbamoyl chloride (PubChem CID 19070632) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is N-cyclopentyl-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclopentyl-N-methylcarbamoyl chloride
PubChem CID19070632
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC NameN-cyclopentyl-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CCCC1
InChIInChI=1S/C7H12ClNO/c1-9(7(8)10)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeySUXDLDZKUQQCNZ-UHFFFAOYSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 52.22
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-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride
CID 105451151
N-cyclopentyl-N-methylformamide
CID 12507329
2,5-Dimethylpyrrolidine-1-carbonyl chloride
CID 13274614
(2R,5S)-2,5-Dimethylpyrrolidine-1-carbonyl chloride
CID 13274615
N-cyclopentyl-N-ethylcarbamoyl chloride
CID 15335411
N-cyclopentyl-N-propylcarbamoyl chloride
CID 15335412
N-butan-2-yl-N-methylcarbamoyl chloride
CID 19070645
N-cyclopentyl-N-propan-2-ylcarbamoyl chloride
CID 19080197
(2R,5R)-2,5-Dimethylpyrrolidine-1-carbonyl chloride
CID 45081357
2-Ethylpyrrolidine-1-carbonyl chloride
CID 45081366
N-cyclopentyl-N-formylcarbamoyl chloride
CID 54432716

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methylcarbamoyl chloride?
The IUPAC name of N-cyclopentyl-N-methylcarbamoyl chloride (CID 19070632) is N-cyclopentyl-N-methylcarbamoyl chloride.
What is the SMILES notation for N-cyclopentyl-N-methylcarbamoyl chloride?
The canonical SMILES for N-cyclopentyl-N-methylcarbamoyl chloride is CN(C(=O)Cl)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methylcarbamoyl chloride?
The InChIKey is SUXDLDZKUQQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-9(7(8)10)6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-N-methylcarbamoyl chloride?
N-cyclopentyl-N-methylcarbamoyl chloride has a molecular weight of 161.63 g/mol, XLogP of 2.22, 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 is sourced from PubChem (CID 19070632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).