4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol

C12H19NO — CID 87839218

IUPAC4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol
SMILESC=CCC=C(CC=C)C(N)(O)CC=C
InChIInChI=1S/C12H19NO/c1-4-7-9-11(8-5-2)12(13,14)10-6-3/h4-6,9,14H,1-3,7-8,10,13H2
InChIKeyXYCICTLAQDGYIC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.29
Rot. Bonds7

About 4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol

4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol (PubChem CID 87839218) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol.

Molecular Properties

Compound Name4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol
PubChem CID87839218
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol
SMILESC=CCC=C(CC=C)C(N)(O)CC=C
InChIInChI=1S/C12H19NO/c1-4-7-9-11(8-5-2)12(13,14)10-6-3/h4-6,9,14H,1-3,7-8,10,13H2
InChIKeyXYCICTLAQDGYIC-UHFFFAOYSA-N
XLogP2.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol?
The IUPAC name of 4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol (CID 87839218) is 4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol.
What is the SMILES notation for 4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol?
The canonical SMILES for 4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol is C=CCC=C(CC=C)C(N)(O)CC=C.
What is the InChIKey of 4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol?
The InChIKey is XYCICTLAQDGYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-7-9-11(8-5-2)12(13,14)10-6-3/h4-6,9,14H,1-3,7-8,10,13H2.
What are the key properties of 4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol?
4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol has a molecular weight of 193.29 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-prop-2-enylnona-1,5,8-trien-4-ol is sourced from PubChem (CID 87839218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).