(NE)-N-(3-methylcyclopentylidene)hydroxylamine

C6H11NO — CID 12768212

IUPAC(NE)-N-(3-methylcyclopentylidene)hydroxylamine
SMILESCC1CC/C(=N\O)C1
InChIInChI=1S/C6H11NO/c1-5-2-3-6(4-5)7-8/h5,8H,2-4H2,1H3/b7-6+
InChIKeyPFIZVFHOOYWMLL-VOTSOKGWSA-N
MW113.16 g/mol
LogP1.64
Rot. Bonds

About (NE)-N-(3-methylcyclopentylidene)hydroxylamine

(NE)-N-(3-methylcyclopentylidene)hydroxylamine (PubChem CID 12768212) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (NE)-N-(3-methylcyclopentylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-methylcyclopentylidene)hydroxylamine
PubChem CID12768212
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(NE)-N-(3-methylcyclopentylidene)hydroxylamine
SMILESCC1CC/C(=N\O)C1
InChIInChI=1S/C6H11NO/c1-5-2-3-6(4-5)7-8/h5,8H,2-4H2,1H3/b7-6+
InChIKeyPFIZVFHOOYWMLL-VOTSOKGWSA-N
XLogP1.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methylcyclopentylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-methylcyclopentylidene)hydroxylamine (CID 12768212) is (NE)-N-(3-methylcyclopentylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-methylcyclopentylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-methylcyclopentylidene)hydroxylamine is CC1CC/C(=N\O)C1.
What is the InChIKey of (NE)-N-(3-methylcyclopentylidene)hydroxylamine?
The InChIKey is PFIZVFHOOYWMLL-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-2-3-6(4-5)7-8/h5,8H,2-4H2,1H3/b7-6+.
What are the key properties of (NE)-N-(3-methylcyclopentylidene)hydroxylamine?
(NE)-N-(3-methylcyclopentylidene)hydroxylamine has a molecular weight of 113.16 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-methylcyclopentylidene)hydroxylamine is sourced from PubChem (CID 12768212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).