(3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol

C8H13NO — CID 142872806

IUPAC(3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol
SMILESC=C/C(O)=C\C(=C)CCN
InChIInChI=1S/C8H13NO/c1-3-8(10)6-7(2)4-5-9/h3,6,10H,1-2,4-5,9H2/b8-6+
InChIKeyZAMDOLYLLWNBKW-SOFGYWHQSA-N
MW139.20 g/mol
LogP1.52
Rot. Bonds4

About (3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol

(3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol (PubChem CID 142872806) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol.

Molecular Properties

Compound Name(3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol
PubChem CID142872806
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol
SMILESC=C/C(O)=C\C(=C)CCN
InChIInChI=1S/C8H13NO/c1-3-8(10)6-7(2)4-5-9/h3,6,10H,1-2,4-5,9H2/b8-6+
InChIKeyZAMDOLYLLWNBKW-SOFGYWHQSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.52
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

4-Fluorotyramine
CID 129695352
p-Hydroxytyramin
CID 67024421
(2Z,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 88860175
3-(Aminomethyl)cyclohepta-1,3,6-trien-1-ol
CID 89381340
(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
CID 89381343
(3Z,5E)-8-amino-6-methylocta-1,3,5-triene-3,4-diol
CID 89679060
(3E)-7-amino-4-methylhepta-1,3-dien-2-ol
CID 89719801
(3E)-7-amino-5-methylidenehepta-1,3-diene-2,3-diol
CID 89981515
(4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol
CID 90148979
(3E,5Z)-9-aminonona-1,3,5-trien-4-ol
CID 90222187
(3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol
CID 130470797
5-(Aminomethyl)cyclohepta-1,3,6-triene-1,3-diol
CID 134485037

Frequently Asked Questions

What is the IUPAC name of (3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol?
The IUPAC name of (3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol (CID 142872806) is (3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol.
What is the SMILES notation for (3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol?
The canonical SMILES for (3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol is C=C/C(O)=C\C(=C)CCN.
What is the InChIKey of (3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol?
The InChIKey is ZAMDOLYLLWNBKW-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8(10)6-7(2)4-5-9/h3,6,10H,1-2,4-5,9H2/b8-6+.
What are the key properties of (3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol?
(3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol has a molecular weight of 139.20 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol is sourced from PubChem (CID 142872806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).