(3E)-4-(ethylamino)penta-1,3-dien-2-ol

C7H13NO — CID 155196322

IUPAC(3E)-4-(ethylamino)penta-1,3-dien-2-ol
SMILESC=C(O)/C=C(\C)NCC
InChIInChI=1S/C7H13NO/c1-4-8-6(2)5-7(3)9/h5,8-9H,3-4H2,1-2H3/b6-5+
InChIKeyDJMJAWXBWPFSHT-AATRIKPKSA-N
MW127.19 g/mol
LogP1.57
Rot. Bonds3

About (3E)-4-(ethylamino)penta-1,3-dien-2-ol

(3E)-4-(ethylamino)penta-1,3-dien-2-ol (PubChem CID 155196322) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3E)-4-(ethylamino)penta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3E)-4-(ethylamino)penta-1,3-dien-2-ol
PubChem CID155196322
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3E)-4-(ethylamino)penta-1,3-dien-2-ol
SMILESC=C(O)/C=C(\C)NCC
InChIInChI=1S/C7H13NO/c1-4-8-6(2)5-7(3)9/h5,8-9H,3-4H2,1-2H3/b6-5+
InChIKeyDJMJAWXBWPFSHT-AATRIKPKSA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.57
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)-4-(ethylamino)penta-1,3-dien-2-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

CID 68023623
CID 68023623
CID 126583734
CID 126583734
CID 126584204
CID 126584204
CID 129055640
CID 129055640
CID 132134167
CID 132134167
CID 132158475
CID 132158475
CID 139332698
CID 139332698
CID 142053476
CID 142053476
CID 142305788
CID 142305788
CID 143306575
CID 143306575
CID 143756870
CID 143756870
CID 144794263
CID 144794263

Frequently Asked Questions

What is the IUPAC name of (3E)-4-(ethylamino)penta-1,3-dien-2-ol?
The IUPAC name of (3E)-4-(ethylamino)penta-1,3-dien-2-ol (CID 155196322) is (3E)-4-(ethylamino)penta-1,3-dien-2-ol.
What is the SMILES notation for (3E)-4-(ethylamino)penta-1,3-dien-2-ol?
The canonical SMILES for (3E)-4-(ethylamino)penta-1,3-dien-2-ol is C=C(O)/C=C(\C)NCC.
What is the InChIKey of (3E)-4-(ethylamino)penta-1,3-dien-2-ol?
The InChIKey is DJMJAWXBWPFSHT-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-8-6(2)5-7(3)9/h5,8-9H,3-4H2,1-2H3/b6-5+.
What are the key properties of (3E)-4-(ethylamino)penta-1,3-dien-2-ol?
(3E)-4-(ethylamino)penta-1,3-dien-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(ethylamino)penta-1,3-dien-2-ol is sourced from PubChem (CID 155196322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).