(3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol

C9H15NO — CID 143236676

IUPAC(3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol
SMILESC=C/C(=C\C=C/C)C(N)CO
InChIInChI=1S/C9H15NO/c1-3-5-6-8(4-2)9(10)7-11/h3-6,9,11H,2,7,10H2,1H3/b5-3-,8-6+
InChIKeySQFIEGHUUCUFPI-CUKJDEOPSA-N
MW153.22 g/mol
LogP0.99
Rot. Bonds4

About (3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol

(3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol (PubChem CID 143236676) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol
PubChem CID143236676
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol
SMILESC=C/C(=C\C=C/C)C(N)CO
InChIInChI=1S/C9H15NO/c1-3-5-6-8(4-2)9(10)7-11/h3-6,9,11H,2,7,10H2,1H3/b5-3-,8-6+
InChIKeySQFIEGHUUCUFPI-CUKJDEOPSA-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,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol?
The IUPAC name of (3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol (CID 143236676) is (3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol.
What is the SMILES notation for (3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol?
The canonical SMILES for (3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol is C=C/C(=C\C=C/C)C(N)CO.
What is the InChIKey of (3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol?
The InChIKey is SQFIEGHUUCUFPI-CUKJDEOPSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-6-8(4-2)9(10)7-11/h3-6,9,11H,2,7,10H2,1H3/b5-3-,8-6+.
What are the key properties of (3E,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol?
(3E,5Z)-2-amino-3-ethenylhepta-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,5Z)-2-amino-3-ethenylhepta-3,5-dien-1-ol is sourced from PubChem (CID 143236676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).