(NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine

C12H15NO — CID 124643608

IUPAC(NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine
SMILESC=CC(C)(C)/C(=N/O)c1ccccc1
InChIInChI=1S/C12H15NO/c1-4-12(2,3)11(13-14)10-8-6-5-7-9-10/h4-9,14H,1H2,2-3H3/b13-11+
InChIKeyMICDPXOGQSFTTD-ACCUITESSA-N
MW189.26 g/mol
LogP3.08
Rot. Bonds3

About (NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine

(NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine (PubChem CID 124643608) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine
PubChem CID124643608
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine
SMILESC=CC(C)(C)/C(=N/O)c1ccccc1
InChIInChI=1S/C12H15NO/c1-4-12(2,3)11(13-14)10-8-6-5-7-9-10/h4-9,14H,1H2,2-3H3/b13-11+
InChIKeyMICDPXOGQSFTTD-ACCUITESSA-N
XLogP3.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine (CID 124643608) is (NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine is C=CC(C)(C)/C(=N/O)c1ccccc1.
What is the InChIKey of (NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine?
The InChIKey is MICDPXOGQSFTTD-ACCUITESSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-12(2,3)11(13-14)10-8-6-5-7-9-10/h4-9,14H,1H2,2-3H3/b13-11+.
What are the key properties of (NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine?
(NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine has a molecular weight of 189.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine is sourced from PubChem (CID 124643608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).