N-(cyclopropylmethyl)-N-methylcarbamoyl chloride

C6H10ClNO — CID 88540922

IUPACN-(cyclopropylmethyl)-N-methylcarbamoyl chloride
SMILESCN(CC1CC1)C(=O)Cl
InChIInChI=1S/C6H10ClNO/c1-8(6(7)9)4-5-2-3-5/h5H,2-4H2,1H3
InChIKeyWELYHWSOZMKUDC-UHFFFAOYSA-N
MW147.60 g/mol
LogP1.69
Rot. Bonds2

About N-(cyclopropylmethyl)-N-methylcarbamoyl chloride

N-(cyclopropylmethyl)-N-methylcarbamoyl chloride (PubChem CID 88540922) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methylcarbamoyl chloride
PubChem CID88540922
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC NameN-(cyclopropylmethyl)-N-methylcarbamoyl chloride
SMILESCN(CC1CC1)C(=O)Cl
InChIInChI=1S/C6H10ClNO/c1-8(6(7)9)4-5-2-3-5/h5H,2-4H2,1H3
InChIKeyWELYHWSOZMKUDC-UHFFFAOYSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.69
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

N-butyl-N-methylcarbamoyl chloride
CID 14673135
N-cyclopropyl-N-methylcarbamoyl chloride
CID 19070630
N-methyl-N-(2-methylpropyl)carbamoyl chloride
CID 79880813
N-methyl-N-(2-methylbutyl)carbamoyl chloride
CID 79886807
N-ethyl-N-(2-methylpropyl)carbamoyl chloride
CID 19080216
N-(cyclopropylmethyl)-N-methylformamide
CID 64992857
N,N-bis(cyclopropylmethyl)carbamoyl chloride
CID 87944947
N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride
CID 79886725
N-methyl-N-(3-methylbutyl)carbamoyl chloride
CID 79886898
N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride
CID 165490807
N-(cyclopropylmethyl)-N-ethylcarbamoyl chloride
CID 165491081
N-(cyclopropylmethyl)-N-(propan-2-yl)carbamoyl chloride
CID 165875038

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(cyclopropylmethyl)-N-methylcarbamoyl chloride (CID 88540922) is N-(cyclopropylmethyl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(cyclopropylmethyl)-N-methylcarbamoyl chloride is CN(CC1CC1)C(=O)Cl.
What is the InChIKey of N-(cyclopropylmethyl)-N-methylcarbamoyl chloride?
The InChIKey is WELYHWSOZMKUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-8(6(7)9)4-5-2-3-5/h5H,2-4H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methylcarbamoyl chloride?
N-(cyclopropylmethyl)-N-methylcarbamoyl chloride has a molecular weight of 147.60 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 88540922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).