4-aminonona-1,4,8-trien-5-ol

C9H15NO — CID 173334614

IUPAC4-aminonona-1,4,8-trien-5-ol
SMILESC=CCCC(O)=C(N)CC=C
InChIInChI=1S/C9H15NO/c1-3-5-7-9(11)8(10)6-4-2/h3-4,11H,1-2,5-7,10H2
InChIKeyFIANAODZNOHNAW-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.26
Rot. Bonds5

About 4-aminonona-1,4,8-trien-5-ol

4-aminonona-1,4,8-trien-5-ol (PubChem CID 173334614) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-aminonona-1,4,8-trien-5-ol.

Molecular Properties

Compound Name4-aminonona-1,4,8-trien-5-ol
PubChem CID173334614
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-aminonona-1,4,8-trien-5-ol
SMILESC=CCCC(O)=C(N)CC=C
InChIInChI=1S/C9H15NO/c1-3-5-7-9(11)8(10)6-4-2/h3-4,11H,1-2,5-7,10H2
InChIKeyFIANAODZNOHNAW-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enylhexa-1,5-diene-1,1-diamine
CID 87329046
hexa-1,5-dien-2-ol
CID 71321875
3-amino-2-prop-2-enylhexa-2,5-dienoic acid
CID 87149470
5-methylhepta-1,5-diene
CID 54049787
ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772
N-carbamoylpent-4-enamide
CID 152780678
N,N-diaminohexa-1,5-dien-2-amine
CID 171097369
hex-5-enethioamide
CID 88640967
ethane;(2E)-2-ethylidenehex-5-enamide
CID 144971443
nonadec-18-enamide
CID 166991988
(3E)-octa-3,7-dienoic acid
CID 12688314
octa-3,7-dienoic acid
CID 71318533

Frequently Asked Questions

What is the IUPAC name of 4-aminonona-1,4,8-trien-5-ol?
The IUPAC name of 4-aminonona-1,4,8-trien-5-ol (CID 173334614) is 4-aminonona-1,4,8-trien-5-ol.
What is the SMILES notation for 4-aminonona-1,4,8-trien-5-ol?
The canonical SMILES for 4-aminonona-1,4,8-trien-5-ol is C=CCCC(O)=C(N)CC=C.
What is the InChIKey of 4-aminonona-1,4,8-trien-5-ol?
The InChIKey is FIANAODZNOHNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-7-9(11)8(10)6-4-2/h3-4,11H,1-2,5-7,10H2.
What are the key properties of 4-aminonona-1,4,8-trien-5-ol?
4-aminonona-1,4,8-trien-5-ol has a molecular weight of 153.22 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminonona-1,4,8-trien-5-ol is sourced from PubChem (CID 173334614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).