(3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol

C9H15NO — CID 143110141

IUPAC(3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=C/C)C(O)CN
InChIInChI=1S/C9H15NO/c1-3-5-8(6-4-2)9(11)7-10/h3-6,9,11H,1,7,10H2,2H3/b6-4-,8-5+
InChIKeyKECIHLFASLDAMP-QXMOYCCXSA-N
MW153.22 g/mol
LogP0.99
Rot. Bonds4

About (3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol

(3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol (PubChem CID 143110141) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
PubChem CID143110141
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=C/C)C(O)CN
InChIInChI=1S/C9H15NO/c1-3-5-8(6-4-2)9(11)7-10/h3-6,9,11H,1,7,10H2,2H3/b6-4-,8-5+
InChIKeyKECIHLFASLDAMP-QXMOYCCXSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenyl]azanium
CID 129320392
2-Amino-1-(cyclooctatetraenyl)ethanol;hydrochloride
CID 90677521
2-amino-1-[(1E,7Z)-cycloocta-1,7-dien-1-yl]ethanol;hydrochloride
CID 90677523
2-Amino-1-cycloocta-1,7-dienyl-ethanol
CID 44272101
2-Amino-1-cyclooctatetraenyl-ethanol
CID 44272309
(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol
CID 129320393
4-(2-Aminoethyl)cyclohexa-3,5-diene-1,2-diol
CID 54016676
3,4-Dihydroxytyramine
CID 69576112
4-Methyldopamin
CID 69747977
(5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol
CID 176967958
Dihydronoradrenaline
CID 129710975
2-Amino-1-(cyclooctatetraenyl)ethanol;hydrochloride
CID 172027109

Frequently Asked Questions

What is the IUPAC name of (3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The IUPAC name of (3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol (CID 143110141) is (3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol.
What is the SMILES notation for (3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The canonical SMILES for (3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol is C=C/C=C(\C=C/C)C(O)CN.
What is the InChIKey of (3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The InChIKey is KECIHLFASLDAMP-QXMOYCCXSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-8(6-4-2)9(11)7-10/h3-6,9,11H,1,7,10H2,2H3/b6-4-,8-5+.
What are the key properties of (3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
(3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol has a molecular weight of 153.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol is sourced from PubChem (CID 143110141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).