(3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol

C9H15NO — CID 142908149

IUPAC(3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol
SMILESC=C/C(CCO)=C(\C=C)NC
InChIInChI=1S/C9H15NO/c1-4-8(6-7-11)9(5-2)10-3/h4-5,10-11H,1-2,6-7H2,3H3/b9-8-
InChIKeyLDXUTJZJYINWNW-HJWRWDBZSA-N
MW153.22 g/mol
LogP1.21
Rot. Bonds5

About (3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol

(3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol (PubChem CID 142908149) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol
PubChem CID142908149
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol
SMILESC=C/C(CCO)=C(\C=C)NC
InChIInChI=1S/C9H15NO/c1-4-8(6-7-11)9(5-2)10-3/h4-5,10-11H,1-2,6-7H2,3H3/b9-8-
InChIKeyLDXUTJZJYINWNW-HJWRWDBZSA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol?
The IUPAC name of (3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol (CID 142908149) is (3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol.
What is the SMILES notation for (3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol?
The canonical SMILES for (3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol is C=C/C(CCO)=C(\C=C)NC.
What is the InChIKey of (3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol?
The InChIKey is LDXUTJZJYINWNW-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-8(6-7-11)9(5-2)10-3/h4-5,10-11H,1-2,6-7H2,3H3/b9-8-.
What are the key properties of (3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol?
(3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethenyl-4-(methylamino)hexa-3,5-dien-1-ol is sourced from PubChem (CID 142908149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).