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

C6H10ClNO — CID 12564082

IUPAC(NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine
SMILESO/N=C1\CCC(CCl)C1
InChIInChI=1S/C6H10ClNO/c7-4-5-1-2-6(3-5)8-9/h5,9H,1-4H2/b8-6+
InChIKeyKXNZYPLONFIKPV-SOFGYWHQSA-N
MW147.60 g/mol
LogP1.86
Rot. Bonds1

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

(NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine (PubChem CID 12564082) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is (NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine
PubChem CID12564082
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name(NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine
SMILESO/N=C1\CCC(CCl)C1
InChIInChI=1S/C6H10ClNO/c7-4-5-1-2-6(3-5)8-9/h5,9H,1-4H2/b8-6+
InChIKeyKXNZYPLONFIKPV-SOFGYWHQSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine (CID 12564082) is (NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine is O/N=C1\CCC(CCl)C1.
What is the InChIKey of (NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine?
The InChIKey is KXNZYPLONFIKPV-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H10ClNO/c7-4-5-1-2-6(3-5)8-9/h5,9H,1-4H2/b8-6+.
What are the key properties of (NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine?
(NE)-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 (NE)-N-[3-(chloromethyl)cyclopentylidene]hydroxylamine is sourced from PubChem (CID 12564082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).