(NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine

C12H15NO — CID 134240579

IUPAC(NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine
SMILESCC(C)=C(/C=N/O)Cc1ccccc1
InChIInChI=1S/C12H15NO/c1-10(2)12(9-13-14)8-11-6-4-3-5-7-11/h3-7,9,14H,8H2,1-2H3/b13-9+
InChIKeyAYVBFDINCORSCG-UKTHLTGXSA-N
MW189.26 g/mol
LogP3.03
Rot. Bonds3

About (NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine

(NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine (PubChem CID 134240579) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine
PubChem CID134240579
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine
SMILESCC(C)=C(/C=N/O)Cc1ccccc1
InChIInChI=1S/C12H15NO/c1-10(2)12(9-13-14)8-11-6-4-3-5-7-11/h3-7,9,14H,8H2,1-2H3/b13-9+
InChIKeyAYVBFDINCORSCG-UKTHLTGXSA-N
XLogP3.03
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 ≤ 53.03
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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Related Compounds

(E)-1-phenylbut-2-en-2-ol
CID 170790149
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
N-[(2Z)-3-methyl-1-phenylpenta-2,4-dien-2-yl]methanimine
CID 156852680
benzene;1-phenylpropan-2-one
CID 21430852
1-phenylpropane-2-thione
CID 19915653
N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
CID 135482640
[(E)-2-methyl-4-[[(E)-3-methyl-4-phenylbut-2-enyl]disulfanyl]but-2-enyl]benzene
CID 11233551
(3-chloro-2-methylprop-2-enyl)benzene
CID 71327936
(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
CID 10534827
(E)-1-phenylpropan-2-ylidenehydrazine
CID 15578189
(2E,4Z)-3-benzylhepta-2,4,6-triene-2-thiol
CID 144560586

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine (CID 134240579) is (NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine is CC(C)=C(/C=N/O)Cc1ccccc1.
What is the InChIKey of (NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine?
The InChIKey is AYVBFDINCORSCG-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(2)12(9-13-14)8-11-6-4-3-5-7-11/h3-7,9,14H,8H2,1-2H3/b13-9+.
What are the key properties of (NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine?
(NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine has a molecular weight of 189.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-benzyl-3-methylbut-2-enylidene)hydroxylamine is sourced from PubChem (CID 134240579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).