1-[chloro(methyl)amino]cyclopropan-1-ol

C4H8ClNO — CID 91422999

IUPAC1-[chloro(methyl)amino]cyclopropan-1-ol
SMILESCN(Cl)C1(O)CC1
InChIInChI=1S/C4H8ClNO/c1-6(5)4(7)2-3-4/h7H,2-3H2,1H3
InChIKeyMIZCJILILRAJPD-UHFFFAOYSA-N
MW121.57 g/mol
LogP0.55
Rot. Bonds1

About 1-[chloro(methyl)amino]cyclopropan-1-ol

1-[chloro(methyl)amino]cyclopropan-1-ol (PubChem CID 91422999) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is 1-[chloro(methyl)amino]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[chloro(methyl)amino]cyclopropan-1-ol
PubChem CID91422999
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC Name1-[chloro(methyl)amino]cyclopropan-1-ol
SMILESCN(Cl)C1(O)CC1
InChIInChI=1S/C4H8ClNO/c1-6(5)4(7)2-3-4/h7H,2-3H2,1H3
InChIKeyMIZCJILILRAJPD-UHFFFAOYSA-N
XLogP0.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 1-[chloro(methyl)amino]cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(methyl)amino]cyclopropan-1-ol?
The IUPAC name of 1-[chloro(methyl)amino]cyclopropan-1-ol (CID 91422999) is 1-[chloro(methyl)amino]cyclopropan-1-ol.
What is the SMILES notation for 1-[chloro(methyl)amino]cyclopropan-1-ol?
The canonical SMILES for 1-[chloro(methyl)amino]cyclopropan-1-ol is CN(Cl)C1(O)CC1.
What is the InChIKey of 1-[chloro(methyl)amino]cyclopropan-1-ol?
The InChIKey is MIZCJILILRAJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO/c1-6(5)4(7)2-3-4/h7H,2-3H2,1H3.
What are the key properties of 1-[chloro(methyl)amino]cyclopropan-1-ol?
1-[chloro(methyl)amino]cyclopropan-1-ol has a molecular weight of 121.57 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(methyl)amino]cyclopropan-1-ol is sourced from PubChem (CID 91422999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).