(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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Related Compounds

2,2-dimethyl-1-phenylbut-3-en-1-one
CID 569795
N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine
CID 173302298
(NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine
CID 170909172
N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine
CID 5337789
N-tert-butyl-2,2-dimethyl-1-phenylpropan-1-imine
CID 15739864
1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 3417354
(2R)-2-hydroxy-3,3-dimethyl-1-phenylpent-4-en-1-one
CID 134993286
3,3-dimethyl-1-phenylpent-4-en-1-one
CID 14397690
benzoic acid;ethane;ethene
CID 143334069
(NE)-N-[2-(2,2-diphenylethenyl)-2-methyl-4,4-diphenylbut-3-enylidene]hydroxylamine
CID 11743387
benzoic acid;ethene
CID 160765727
N-(2-methyl-1-phenylprop-2-enylidene)hydroxylamine
CID 73116354

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).