(Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol

C11H14N2O — CID 166957525

IUPAC(Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol
SMILESC/N=C(/C=C(\N)c1ccccc1)CO
InChIInChI=1S/C11H14N2O/c1-13-10(8-14)7-11(12)9-5-3-2-4-6-9/h2-7,14H,8,12H2,1H3/b11-7-,13-10-
InChIKeyXSUQZIGJVZEYNJ-AZCBLXCJSA-N
MW190.25 g/mol
LogP1.05
Rot. Bonds3

About (Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol

(Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol (PubChem CID 166957525) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol
PubChem CID166957525
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol
SMILESC/N=C(/C=C(\N)c1ccccc1)CO
InChIInChI=1S/C11H14N2O/c1-13-10(8-14)7-11(12)9-5-3-2-4-6-9/h2-7,14H,8,12H2,1H3/b11-7-,13-10-
InChIKeyXSUQZIGJVZEYNJ-AZCBLXCJSA-N
XLogP1.05
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol?
The IUPAC name of (Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol (CID 166957525) is (Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol.
What is the SMILES notation for (Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol?
The canonical SMILES for (Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol is C/N=C(/C=C(\N)c1ccccc1)CO.
What is the InChIKey of (Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol?
The InChIKey is XSUQZIGJVZEYNJ-AZCBLXCJSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-10(8-14)7-11(12)9-5-3-2-4-6-9/h2-7,14H,8,12H2,1H3/b11-7-,13-10-.
What are the key properties of (Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol?
(Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol has a molecular weight of 190.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-methylimino-4-phenylbut-3-en-1-ol is sourced from PubChem (CID 166957525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).