(3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol

C11H17NO — CID 142883688

IUPAC(3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol
SMILESC=C/C(O)=C(C=C)/C=C/C(N)CC
InChIInChI=1S/C11H17NO/c1-4-9(11(13)6-3)7-8-10(12)5-2/h4,6-8,10,13H,1,3,5,12H2,2H3/b8-7+,11-9-
InChIKeyMQAQESPKCANBKP-OHFYBLQUSA-N
MW179.26 g/mol
LogP2.46
Rot. Bonds5

About (3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol

(3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol (PubChem CID 142883688) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol
PubChem CID142883688
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol
SMILESC=C/C(O)=C(C=C)/C=C/C(N)CC
InChIInChI=1S/C11H17NO/c1-4-9(11(13)6-3)7-8-10(12)5-2/h4,6-8,10,13H,1,3,5,12H2,2H3/b8-7+,11-9-
InChIKeyMQAQESPKCANBKP-OHFYBLQUSA-N
XLogP2.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-aminocyclohexa-1,5-dien-1-ol
CID 67126355
4-Aminocyclohexa-1,5-dien-1-ol
CID 68200165
6-Amino-2-methylhept-3-en-2-ol
CID 87955036
(2Z,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 88860175
2-(4-Aminocyclohexa-1,5-dien-1-yl)propan-2-ol
CID 89074029
(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
CID 89381343
(3R)-3-aminocyclohexa-1,5-dien-1-ol
CID 89469321
2-(3-Aminocyclopenta-1,4-dien-1-yl)propan-2-ol
CID 118407408
(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
CID 126583250
4-Amino-3-methylcyclohexa-1,5-dien-1-ol
CID 129115171
(3Z,5Z)-4-(1-aminoethyl)hepta-3,5-dien-3-ol
CID 132197045
(2E,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 137393695

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol?
The IUPAC name of (3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol (CID 142883688) is (3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol.
What is the SMILES notation for (3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol?
The canonical SMILES for (3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol is C=C/C(O)=C(C=C)/C=C/C(N)CC.
What is the InChIKey of (3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol?
The InChIKey is MQAQESPKCANBKP-OHFYBLQUSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-9(11(13)6-3)7-8-10(12)5-2/h4,6-8,10,13H,1,3,5,12H2,2H3/b8-7+,11-9-.
What are the key properties of (3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol?
(3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol has a molecular weight of 179.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-7-amino-4-ethenylnona-1,3,5-trien-3-ol is sourced from PubChem (CID 142883688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).