ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol

C10H23NO2 — CID 170592586

IUPACethane;(E)-3-methanimidoylpent-3-ene-2,2-diol
SMILESCC.CC.[H]/N=C/C(=C\C)C(C)(O)O
InChIInChI=1S/C6H11NO2.2C2H6/c1-3-5(4-7)6(2,8)9;2*1-2/h3-4,7-9H,1-2H3;2*1-2H3/b5-3+,7-4+;;
InChIKeyUWUHNCQLRJUQBI-BKBQIBNLSA-N
MW189.30 g/mol
LogP2.34
Rot. Bonds2

About ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol

ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol (PubChem CID 170592586) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol.

Molecular Properties

Compound Nameethane;(E)-3-methanimidoylpent-3-ene-2,2-diol
PubChem CID170592586
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nameethane;(E)-3-methanimidoylpent-3-ene-2,2-diol
SMILESCC.CC.[H]/N=C/C(=C\C)C(C)(O)O
InChIInChI=1S/C6H11NO2.2C2H6/c1-3-5(4-7)6(2,8)9;2*1-2/h3-4,7-9H,1-2H3;2*1-2H3/b5-3+,7-4+;;
InChIKeyUWUHNCQLRJUQBI-BKBQIBNLSA-N
XLogP2.34
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol 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

(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 126695369
(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol
CID 142016028
ethane;(3Z,5E)-5-methanimidoylhepta-1,3,5-trien-2-ol
CID 143193809
(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol
CID 143341071
ethane;(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 145559198
butane;(E)-1-cyclopropylidene-2-methanimidoylbut-2-en-1-ol
CID 167447308
(3Z,5E)-5-methanimidoylhepta-1,3,5-trien-2-ol
CID 143193810
(E)-3-methanimidoylpent-3-ene-2,2-diol
CID 170592587

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol?
The IUPAC name of ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol (CID 170592586) is ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol.
What is the SMILES notation for ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol?
The canonical SMILES for ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol is CC.CC.[H]/N=C/C(=C\C)C(C)(O)O.
What is the InChIKey of ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol?
The InChIKey is UWUHNCQLRJUQBI-BKBQIBNLSA-N. The full InChI is InChI=1S/C6H11NO2.2C2H6/c1-3-5(4-7)6(2,8)9;2*1-2/h3-4,7-9H,1-2H3;2*1-2H3/b5-3+,7-4+;;.
What are the key properties of ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol?
ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol has a molecular weight of 189.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-3-methanimidoylpent-3-ene-2,2-diol is sourced from PubChem (CID 170592586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).