(3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol

C10H11NO — CID 89164609

IUPAC(3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol
SMILESC=C(O)/C=C(\N)c1ccccc1
InChIInChI=1S/C10H11NO/c1-8(12)7-10(11)9-5-3-2-4-6-9/h2-7,12H,1,11H2/b10-7-
InChIKeyYMIRZSSSMLXSBM-YFHOEESVSA-N
MW161.20 g/mol
LogP2.06
Rot. Bonds2

About (3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol

(3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol (PubChem CID 89164609) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol
PubChem CID89164609
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol
SMILESC=C(O)/C=C(\N)c1ccccc1
InChIInChI=1S/C10H11NO/c1-8(12)7-10(11)9-5-3-2-4-6-9/h2-7,12H,1,11H2/b10-7-
InChIKeyYMIRZSSSMLXSBM-YFHOEESVSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol?
The IUPAC name of (3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol (CID 89164609) is (3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol is C=C(O)/C=C(\N)c1ccccc1.
What is the InChIKey of (3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol?
The InChIKey is YMIRZSSSMLXSBM-YFHOEESVSA-N. The full InChI is InChI=1S/C10H11NO/c1-8(12)7-10(11)9-5-3-2-4-6-9/h2-7,12H,1,11H2/b10-7-.
What are the key properties of (3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol?
(3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol has a molecular weight of 161.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-amino-4-phenylbuta-1,3-dien-2-ol is sourced from PubChem (CID 89164609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).