N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride

C7H12ClNO — CID 165490807

IUPACN-(1-cyclopropylethyl)-N-methylcarbamoyl chloride
SMILESCC(C1CC1)N(C)C(=O)Cl
InChIInChI=1S/C7H12ClNO/c1-5(6-3-4-6)9(2)7(8)10/h5-6H,3-4H2,1-2H3
InChIKeyKPEYMSJWYXPKNW-UHFFFAOYSA-N
MW161.63 g/mol
LogP2.08
Rot. Bonds2

About N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride

N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride (PubChem CID 165490807) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methylcarbamoyl chloride
PubChem CID165490807
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC NameN-(1-cyclopropylethyl)-N-methylcarbamoyl chloride
SMILESCC(C1CC1)N(C)C(=O)Cl
InChIInChI=1S/C7H12ClNO/c1-5(6-3-4-6)9(2)7(8)10/h5-6H,3-4H2,1-2H3
InChIKeyKPEYMSJWYXPKNW-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride (CID 165490807) is N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride is CC(C1CC1)N(C)C(=O)Cl.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride?
The InChIKey is KPEYMSJWYXPKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-5(6-3-4-6)9(2)7(8)10/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride?
N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride has a molecular weight of 161.63 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 165490807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).