(5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol

C13H23NO — CID 89050113

IUPAC(5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol
SMILESC=C(CCCO)/C(=C\C=C/C)CCCN
InChIInChI=1S/C13H23NO/c1-3-4-8-13(9-5-10-14)12(2)7-6-11-15/h3-4,8,15H,2,5-7,9-11,14H2,1H3/b4-3-,13-8-
InChIKeyFYNVNDDQHMVEMW-XZSWCIGXSA-N
MW209.33 g/mol
LogP2.56
Rot. Bonds8

About (5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol

(5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol (PubChem CID 89050113) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol.

Molecular Properties

Compound Name(5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol
PubChem CID89050113
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol
SMILESC=C(CCCO)/C(=C\C=C/C)CCCN
InChIInChI=1S/C13H23NO/c1-3-4-8-13(9-5-10-14)12(2)7-6-11-15/h3-4,8,15H,2,5-7,9-11,14H2,1H3/b4-3-,13-8-
InChIKeyFYNVNDDQHMVEMW-XZSWCIGXSA-N
XLogP2.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.56
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 (5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol?
The IUPAC name of (5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol (CID 89050113) is (5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol.
What is the SMILES notation for (5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol?
The canonical SMILES for (5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol is C=C(CCCO)/C(=C\C=C/C)CCCN.
What is the InChIKey of (5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol?
The InChIKey is FYNVNDDQHMVEMW-XZSWCIGXSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-8-13(9-5-10-14)12(2)7-6-11-15/h3-4,8,15H,2,5-7,9-11,14H2,1H3/b4-3-,13-8-.
What are the key properties of (5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol?
(5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol is sourced from PubChem (CID 89050113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).