ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol

C9H17NO — CID 143321132

IUPACethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol
SMILESC=C.C=C/C(=C\C)NCCO
InChIInChI=1S/C7H13NO.C2H4/c1-3-7(4-2)8-5-6-9;1-2/h3-4,8-9H,1,5-6H2,2H3;1-2H2/b7-4+;
InChIKeyVJULFSMAHWWENU-KQGICBIGSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds4

About ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol

ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol (PubChem CID 143321132) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol.

Molecular Properties

Compound Nameethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol
PubChem CID143321132
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol
SMILESC=C.C=C/C(=C\C)NCCO
InChIInChI=1S/C7H13NO.C2H4/c1-3-7(4-2)8-5-6-9;1-2/h3-4,8-9H,1,5-6H2,2H3;1-2H2/b7-4+;
InChIKeyVJULFSMAHWWENU-KQGICBIGSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol?
The IUPAC name of ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol (CID 143321132) is ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol.
What is the SMILES notation for ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol?
The canonical SMILES for ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol is C=C.C=C/C(=C\C)NCCO.
What is the InChIKey of ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol?
The InChIKey is VJULFSMAHWWENU-KQGICBIGSA-N. The full InChI is InChI=1S/C7H13NO.C2H4/c1-3-7(4-2)8-5-6-9;1-2/h3-4,8-9H,1,5-6H2,2H3;1-2H2/b7-4+;.
What are the key properties of ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol?
ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-[[(3E)-penta-1,3-dien-3-yl]amino]ethanol is sourced from PubChem (CID 143321132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).