N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride

C8H14ClNO — CID 79886725

IUPACN-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride
SMILESCC(C)CN(C(=O)Cl)C1CC1
InChIInChI=1S/C8H14ClNO/c1-6(2)5-10(8(9)11)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyOFPUCRJMVXMBOC-UHFFFAOYSA-N
MW175.66 g/mol
LogP2.47
Rot. Bonds3

About N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride

N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride (PubChem CID 79886725) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride
PubChem CID79886725
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC NameN-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride
SMILESCC(C)CN(C(=O)Cl)C1CC1
InChIInChI=1S/C8H14ClNO/c1-6(2)5-10(8(9)11)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyOFPUCRJMVXMBOC-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 52.47
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-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride?
The IUPAC name of N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride (CID 79886725) is N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride.
What is the SMILES notation for N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride?
The canonical SMILES for N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride is CC(C)CN(C(=O)Cl)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride?
The InChIKey is OFPUCRJMVXMBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-6(2)5-10(8(9)11)7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride?
N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride has a molecular weight of 175.66 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methylpropyl)carbamoyl chloride is sourced from PubChem (CID 79886725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).