N-cyclobutyl-N-formylcarbamoyl chloride

C6H8ClNO2 — CID 54115870

IUPACN-cyclobutyl-N-formylcarbamoyl chloride
SMILESO=CN(C(=O)Cl)C1CCC1
InChIInChI=1S/C6H8ClNO2/c7-6(10)8(4-9)5-2-1-3-5/h4-5H,1-3H2
InChIKeyNKHSMBBLZSYXKX-UHFFFAOYSA-N
MW161.59 g/mol
LogP1.36
Rot. Bonds2

About N-cyclobutyl-N-formylcarbamoyl chloride

N-cyclobutyl-N-formylcarbamoyl chloride (PubChem CID 54115870) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is N-cyclobutyl-N-formylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclobutyl-N-formylcarbamoyl chloride
PubChem CID54115870
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC NameN-cyclobutyl-N-formylcarbamoyl chloride
SMILESO=CN(C(=O)Cl)C1CCC1
InChIInChI=1S/C6H8ClNO2/c7-6(10)8(4-9)5-2-1-3-5/h4-5H,1-3H2
InChIKeyNKHSMBBLZSYXKX-UHFFFAOYSA-N
XLogP1.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-N-methylcarbamoyl chloride
CID 88541710
N-formyl-N-propan-2-ylcarbamoyl chloride
CID 53979717
N-butyl-N-formylcarbamoyl chloride
CID 54486815
N-cyclobutyl-N-formylformamide
CID 88043710

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-formylcarbamoyl chloride?
The IUPAC name of N-cyclobutyl-N-formylcarbamoyl chloride (CID 54115870) is N-cyclobutyl-N-formylcarbamoyl chloride.
What is the SMILES notation for N-cyclobutyl-N-formylcarbamoyl chloride?
The canonical SMILES for N-cyclobutyl-N-formylcarbamoyl chloride is O=CN(C(=O)Cl)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-formylcarbamoyl chloride?
The InChIKey is NKHSMBBLZSYXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2/c7-6(10)8(4-9)5-2-1-3-5/h4-5H,1-3H2.
What are the key properties of N-cyclobutyl-N-formylcarbamoyl chloride?
N-cyclobutyl-N-formylcarbamoyl chloride has a molecular weight of 161.59 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-formylcarbamoyl chloride is sourced from PubChem (CID 54115870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).