(NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine

C8H13NO — CID 15129512

IUPAC(NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine
SMILESCC1CC=C(/C=N/O)CC1
InChIInChI=1S/C8H13NO/c1-7-2-4-8(5-3-7)6-9-10/h4,6-7,10H,2-3,5H2,1H3/b9-6+
InChIKeyKVSAALNEABNKAC-RMKNXTFCSA-N
MW139.20 g/mol
LogP2.19
Rot. Bonds1

About (NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine

(NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine (PubChem CID 15129512) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine
PubChem CID15129512
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine
SMILESCC1CC=C(/C=N/O)CC1
InChIInChI=1S/C8H13NO/c1-7-2-4-8(5-3-7)6-9-10/h4,6-7,10H,2-3,5H2,1H3/b9-6+
InChIKeyKVSAALNEABNKAC-RMKNXTFCSA-N
XLogP2.19
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.19
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-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine (CID 15129512) is (NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine is CC1CC=C(/C=N/O)CC1.
What is the InChIKey of (NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine?
The InChIKey is KVSAALNEABNKAC-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-2-4-8(5-3-7)6-9-10/h4,6-7,10H,2-3,5H2,1H3/b9-6+.
What are the key properties of (NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine?
(NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine has a molecular weight of 139.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 15129512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).