N-cyclopropyl-N-methylcarbamoyl chloride

C5H8ClNO — CID 19070630

IUPACN-cyclopropyl-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CC1
InChIInChI=1S/C5H8ClNO/c1-7(5(6)8)4-2-3-4/h4H,2-3H2,1H3
InChIKeyLDSGUMIQVUMQIM-UHFFFAOYSA-N
MW133.58 g/mol
LogP1.44
Rot. Bonds1

About N-cyclopropyl-N-methylcarbamoyl chloride

N-cyclopropyl-N-methylcarbamoyl chloride (PubChem CID 19070630) has the molecular formula C5H8ClNO and a molecular weight of 133.58 g/mol. Its IUPAC name is N-cyclopropyl-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclopropyl-N-methylcarbamoyl chloride
PubChem CID19070630
Molecular FormulaC5H8ClNO
Molecular Weight133.58 g/mol
Exact Mass133.03
IUPAC NameN-cyclopropyl-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CC1
InChIInChI=1S/C5H8ClNO/c1-7(5(6)8)4-2-3-4/h4H,2-3H2,1H3
InChIKeyLDSGUMIQVUMQIM-UHFFFAOYSA-N
XLogP1.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 51.44
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

Diisopropylcarbamoyl chloride
CID 87890
Di-sec-butylcarbamoyl chloride
CID 3015862
N-ethyl-N-(propan-2-yl)carbamoyl chloride
CID 21185221
N-methyl-N-propylcarbamoyl chloride
CID 15040338
N-cyclopropyl-N-ethylcarbamoyl chloride
CID 19070648
N-methyl-N-(propan-2-yl)carbamoyl chloride
CID 21956030
N-(cyclopropylmethyl)-N-methylcarbamoyl chloride
CID 88540922
N-cyclobutyl-N-methylcarbamoyl chloride
CID 88541710
N-(2,2-difluorocyclopropyl)-N-methylcarbamoyl chloride
CID 165985736
N-butan-2-yl-N-methylcarbamoyl chloride
CID 19070645
N-(butan-2-yl)-N-ethylcarbamoyl chloride
CID 19070647
N-cyclopropyl-N-propylcarbamoyl chloride
CID 20290125

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methylcarbamoyl chloride?
The IUPAC name of N-cyclopropyl-N-methylcarbamoyl chloride (CID 19070630) is N-cyclopropyl-N-methylcarbamoyl chloride.
What is the SMILES notation for N-cyclopropyl-N-methylcarbamoyl chloride?
The canonical SMILES for N-cyclopropyl-N-methylcarbamoyl chloride is CN(C(=O)Cl)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methylcarbamoyl chloride?
The InChIKey is LDSGUMIQVUMQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO/c1-7(5(6)8)4-2-3-4/h4H,2-3H2,1H3.
What are the key properties of N-cyclopropyl-N-methylcarbamoyl chloride?
N-cyclopropyl-N-methylcarbamoyl chloride has a molecular weight of 133.58 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methylcarbamoyl chloride is sourced from PubChem (CID 19070630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).