(4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol

C9H15NO — CID 89423677

IUPAC(4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol
SMILESC=C/C(=C\C=C/N)CCCO
InChIInChI=1S/C9H15NO/c1-2-9(5-3-7-10)6-4-8-11/h2-3,5,7,11H,1,4,6,8,10H2/b7-3-,9-5+
InChIKeyYGAVSISLTIFZTF-NINQLNBYSA-N
MW153.22 g/mol
LogP1.34
Rot. Bonds5

About (4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol

(4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol (PubChem CID 89423677) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol
PubChem CID89423677
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol
SMILESC=C/C(=C\C=C/N)CCCO
InChIInChI=1S/C9H15NO/c1-2-9(5-3-7-10)6-4-8-11/h2-3,5,7,11H,1,4,6,8,10H2/b7-3-,9-5+
InChIKeyYGAVSISLTIFZTF-NINQLNBYSA-N
XLogP1.34
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 ≤ 51.34
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 (4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol?
The IUPAC name of (4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol (CID 89423677) is (4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol.
What is the SMILES notation for (4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol?
The canonical SMILES for (4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol is C=C/C(=C\C=C/N)CCCO.
What is the InChIKey of (4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol?
The InChIKey is YGAVSISLTIFZTF-NINQLNBYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-9(5-3-7-10)6-4-8-11/h2-3,5,7,11H,1,4,6,8,10H2/b7-3-,9-5+.
What are the key properties of (4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol?
(4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-7-amino-4-ethenylhepta-4,6-dien-1-ol is sourced from PubChem (CID 89423677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).