(NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine

C9H15NO — CID 6508017

IUPAC(NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine
SMILESCC1=C/C(=N/O)CC(C)(C)C1
InChIInChI=1S/C9H15NO/c1-7-4-8(10-11)6-9(2,3)5-7/h4,11H,5-6H2,1-3H3/b10-8-
InChIKeyZJOPWRYFFJYLHJ-NTMALXAHSA-N
MW153.22 g/mol
LogP2.58
Rot. Bonds

About (NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine

(NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine (PubChem CID 6508017) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine
PubChem CID6508017
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine
SMILESCC1=C/C(=N/O)CC(C)(C)C1
InChIInChI=1S/C9H15NO/c1-7-4-8(10-11)6-9(2,3)5-7/h4,11H,5-6H2,1-3H3/b10-8-
InChIKeyZJOPWRYFFJYLHJ-NTMALXAHSA-N
XLogP2.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.58
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-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine (CID 6508017) is (NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine is CC1=C/C(=N/O)CC(C)(C)C1.
What is the InChIKey of (NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine?
The InChIKey is ZJOPWRYFFJYLHJ-NTMALXAHSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-8(10-11)6-9(2,3)5-7/h4,11H,5-6H2,1-3H3/b10-8-.
What are the key properties of (NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine?
(NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine has a molecular weight of 153.22 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine is sourced from PubChem (CID 6508017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).