(3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol

C9H15NO — CID 145012112

IUPAC(3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol
SMILESC=C/C=C(\C=C/C)C(N)CO
InChIInChI=1S/C9H15NO/c1-3-5-8(6-4-2)9(10)7-11/h3-6,9,11H,1,7,10H2,2H3/b6-4-,8-5+
InChIKeyIKWPCIZHUHDRMW-QXMOYCCXSA-N
MW153.22 g/mol
LogP0.99
Rot. Bonds4

About (3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol

(3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol (PubChem CID 145012112) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol
PubChem CID145012112
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol
SMILESC=C/C=C(\C=C/C)C(N)CO
InChIInChI=1S/C9H15NO/c1-3-5-8(6-4-2)9(10)7-11/h3-6,9,11H,1,7,10H2,2H3/b6-4-,8-5+
InChIKeyIKWPCIZHUHDRMW-QXMOYCCXSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.99
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)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol?
The IUPAC name of (3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol (CID 145012112) is (3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol.
What is the SMILES notation for (3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol?
The canonical SMILES for (3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol is C=C/C=C(\C=C/C)C(N)CO.
What is the InChIKey of (3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol?
The InChIKey is IKWPCIZHUHDRMW-QXMOYCCXSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-8(6-4-2)9(10)7-11/h3-6,9,11H,1,7,10H2,2H3/b6-4-,8-5+.
What are the key properties of (3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol?
(3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ol is sourced from PubChem (CID 145012112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).