N-[3-(chloromethyl)cyclopentylidene]hydroxylamine

C6H10ClNO — CID 85441341

IUPACN-[3-(chloromethyl)cyclopentylidene]hydroxylamine
SMILESON=C1CCC(CCl)C1
InChIInChI=1S/C6H10ClNO/c7-4-5-1-2-6(3-5)8-9/h5,9H,1-4H2
InChIKeyKXNZYPLONFIKPV-UHFFFAOYSA-N
MW147.60 g/mol
LogP1.86
Rot. Bonds1

About N-[3-(chloromethyl)cyclopentylidene]hydroxylamine

N-[3-(chloromethyl)cyclopentylidene]hydroxylamine (PubChem CID 85441341) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is N-[3-(chloromethyl)cyclopentylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-(chloromethyl)cyclopentylidene]hydroxylamine
PubChem CID85441341
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC NameN-[3-(chloromethyl)cyclopentylidene]hydroxylamine
SMILESON=C1CCC(CCl)C1
InChIInChI=1S/C6H10ClNO/c7-4-5-1-2-6(3-5)8-9/h5,9H,1-4H2
InChIKeyKXNZYPLONFIKPV-UHFFFAOYSA-N
XLogP1.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(chloromethyl)cyclopentylidene]hydroxylamine 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 N-[3-(chloromethyl)cyclopentylidene]hydroxylamine?
The IUPAC name of N-[3-(chloromethyl)cyclopentylidene]hydroxylamine (CID 85441341) is N-[3-(chloromethyl)cyclopentylidene]hydroxylamine.
What is the SMILES notation for N-[3-(chloromethyl)cyclopentylidene]hydroxylamine?
The canonical SMILES for N-[3-(chloromethyl)cyclopentylidene]hydroxylamine is ON=C1CCC(CCl)C1.
What is the InChIKey of N-[3-(chloromethyl)cyclopentylidene]hydroxylamine?
The InChIKey is KXNZYPLONFIKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c7-4-5-1-2-6(3-5)8-9/h5,9H,1-4H2.
What are the key properties of N-[3-(chloromethyl)cyclopentylidene]hydroxylamine?
N-[3-(chloromethyl)cyclopentylidene]hydroxylamine has a molecular weight of 147.60 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)cyclopentylidene]hydroxylamine is sourced from PubChem (CID 85441341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).