(3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol

C8H13NO — CID 142872814

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

About (3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol

(3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol (PubChem CID 142872814) 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-4-ol.

Molecular Properties

Compound Name(3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol
PubChem CID142872814
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol
SMILESC=C/C=C(/O)C(=C)CCN
InChIInChI=1S/C8H13NO/c1-3-4-8(10)7(2)5-6-9/h3-4,10H,1-2,5-6,9H2/b8-4+
InChIKeyRCPZSSQZDOICSW-XBXARRHUSA-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'}

Analyze (3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Aminomethylidene)cyclohexa-1,3-dien-1-ol
CID 67159571
(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,5Z)-9-aminonona-1,3,5-trien-4-ol
CID 90222187
4-(2-Aminoethyl)cyclohepta-1,3,6-trien-1-ol
CID 142109544
4-(Aminomethyl)cyclohepta-1,3,6-trien-1-ol
CID 142161850
(3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol
CID 142872806
(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane
CID 145285922
(3E,5Z)-3-(2-aminoethyl)-5-methylhepta-1,3,5-trien-4-ol
CID 145606964
(2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol
CID 146408950
2-(2-Aminoethyl)cyclohexa-1,3-dien-1-ol
CID 153221096
(3E)-7-(methylamino)-5-methylidenehepta-1,3-dien-4-ol
CID 156874630

Frequently Asked Questions

What is the IUPAC name of (3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol?
The IUPAC name of (3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol (CID 142872814) is (3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol.
What is the SMILES notation for (3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol?
The canonical SMILES for (3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol is C=C/C=C(/O)C(=C)CCN.
What is the InChIKey of (3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol?
The InChIKey is RCPZSSQZDOICSW-XBXARRHUSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-8(10)7(2)5-6-9/h3-4,10H,1-2,5-6,9H2/b8-4+.
What are the key properties of (3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol?
(3E)-7-amino-5-methylidenehepta-1,3-dien-4-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-4-ol is sourced from PubChem (CID 142872814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).