1-amino-4-ethenylhepta-4,6-dien-3-ol

C9H15NO — CID 123962499

IUPAC1-amino-4-ethenylhepta-4,6-dien-3-ol
SMILESC=CC=C(C=C)C(O)CCN
InChIInChI=1S/C9H15NO/c1-3-5-8(4-2)9(11)6-7-10/h3-5,9,11H,1-2,6-7,10H2
InChIKeyPTSGUUMYPDWZOE-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.99
Rot. Bonds5

About 1-amino-4-ethenylhepta-4,6-dien-3-ol

1-amino-4-ethenylhepta-4,6-dien-3-ol (PubChem CID 123962499) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-amino-4-ethenylhepta-4,6-dien-3-ol.

Molecular Properties

Compound Name1-amino-4-ethenylhepta-4,6-dien-3-ol
PubChem CID123962499
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-amino-4-ethenylhepta-4,6-dien-3-ol
SMILESC=CC=C(C=C)C(O)CCN
InChIInChI=1S/C9H15NO/c1-3-5-8(4-2)9(11)6-7-10/h3-5,9,11H,1-2,6-7,10H2
InChIKeyPTSGUUMYPDWZOE-UHFFFAOYSA-N
XLogP0.99
TPSA46.25 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 ≤ 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 1-amino-4-ethenylhepta-4,6-dien-3-ol?
The IUPAC name of 1-amino-4-ethenylhepta-4,6-dien-3-ol (CID 123962499) is 1-amino-4-ethenylhepta-4,6-dien-3-ol.
What is the SMILES notation for 1-amino-4-ethenylhepta-4,6-dien-3-ol?
The canonical SMILES for 1-amino-4-ethenylhepta-4,6-dien-3-ol is C=CC=C(C=C)C(O)CCN.
What is the InChIKey of 1-amino-4-ethenylhepta-4,6-dien-3-ol?
The InChIKey is PTSGUUMYPDWZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-8(4-2)9(11)6-7-10/h3-5,9,11H,1-2,6-7,10H2.
What are the key properties of 1-amino-4-ethenylhepta-4,6-dien-3-ol?
1-amino-4-ethenylhepta-4,6-dien-3-ol has a molecular weight of 153.22 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-ethenylhepta-4,6-dien-3-ol is sourced from PubChem (CID 123962499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).