1-(methylamino)cyclobutane-1-carbonyl chloride

C6H10ClNO — CID 139476856

IUPAC1-(methylamino)cyclobutane-1-carbonyl chloride
SMILESCNC1(C(=O)Cl)CCC1
InChIInChI=1S/C6H10ClNO/c1-8-6(5(7)9)3-2-4-6/h8H,2-4H2,1H3
InChIKeyXNZATODKUZKFJE-UHFFFAOYSA-N
MW147.60 g/mol
LogP0.89
Rot. Bonds2

About 1-(methylamino)cyclobutane-1-carbonyl chloride

1-(methylamino)cyclobutane-1-carbonyl chloride (PubChem CID 139476856) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 1-(methylamino)cyclobutane-1-carbonyl chloride.

Molecular Properties

Compound Name1-(methylamino)cyclobutane-1-carbonyl chloride
PubChem CID139476856
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name1-(methylamino)cyclobutane-1-carbonyl chloride
SMILESCNC1(C(=O)Cl)CCC1
InChIInChI=1S/C6H10ClNO/c1-8-6(5(7)9)3-2-4-6/h8H,2-4H2,1H3
InChIKeyXNZATODKUZKFJE-UHFFFAOYSA-N
XLogP0.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(methylamino)piperidine-4-carbonyl chloride;1-methyl-4-(methylamino)piperidine-4-carboxylic acid
CID 157250484
1-[1-(methylamino)cycloheptyl]ethanone
CID 59493685
methyl N-(1-carbonochloridoylcyclohexyl)carbamate
CID 88817700
1-[1-(methylamino)cyclopentyl]prop-2-en-1-one
CID 130573811
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
N-but-2-ynyl-1-(methylamino)cyclobutane-1-carboxamide
CID 130591418
1,3,5-tris(methylamino)cyclohexane-1,3,5-tricarboxylic acid
CID 174766010
[1-(methylamino)cyclobutyl]-(oxazinan-2-yl)methanone
CID 130591416
1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81168184
N-(1-acetylcyclobutyl)acetamide
CID 59658507
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
[1-(methylamino)cyclobutyl]-(1,2-thiazol-3-yl)methanone
CID 130918603

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)cyclobutane-1-carbonyl chloride?
The IUPAC name of 1-(methylamino)cyclobutane-1-carbonyl chloride (CID 139476856) is 1-(methylamino)cyclobutane-1-carbonyl chloride.
What is the SMILES notation for 1-(methylamino)cyclobutane-1-carbonyl chloride?
The canonical SMILES for 1-(methylamino)cyclobutane-1-carbonyl chloride is CNC1(C(=O)Cl)CCC1.
What is the InChIKey of 1-(methylamino)cyclobutane-1-carbonyl chloride?
The InChIKey is XNZATODKUZKFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-8-6(5(7)9)3-2-4-6/h8H,2-4H2,1H3.
What are the key properties of 1-(methylamino)cyclobutane-1-carbonyl chloride?
1-(methylamino)cyclobutane-1-carbonyl chloride has a molecular weight of 147.60 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)cyclobutane-1-carbonyl chloride is sourced from PubChem (CID 139476856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).