(NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine

C10H15NO — CID 6437613

IUPAC(NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine
SMILESCC1=C(/C=N\O)C(C)(C)CC=C1
InChIInChI=1S/C10H15NO/c1-8-5-4-6-10(2,3)9(8)7-11-12/h4-5,7,12H,6H2,1-3H3/b11-7-
InChIKeyPOYDEASPSJCUBW-XFFZJAGNSA-N
MW165.24 g/mol
LogP2.75
Rot. Bonds1

About (NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine

(NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine (PubChem CID 6437613) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine
PubChem CID6437613
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine
SMILESCC1=C(/C=N\O)C(C)(C)CC=C1
InChIInChI=1S/C10H15NO/c1-8-5-4-6-10(2,3)9(8)7-11-12/h4-5,7,12H,6H2,1-3H3/b11-7-
InChIKeyPOYDEASPSJCUBW-XFFZJAGNSA-N
XLogP2.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.75
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 (NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine (CID 6437613) is (NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine is CC1=C(/C=N\O)C(C)(C)CC=C1.
What is the InChIKey of (NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine?
The InChIKey is POYDEASPSJCUBW-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-5-4-6-10(2,3)9(8)7-11-12/h4-5,7,12H,6H2,1-3H3/b11-7-.
What are the key properties of (NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine?
(NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine has a molecular weight of 165.24 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 6437613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).