ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene

C12H21NO — CID 143193804

IUPACethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene
SMILESC=CC.CC.[H]/N=C/C1=CCC(O)C=C1
InChIInChI=1S/C7H9NO.C3H6.C2H6/c8-5-6-1-3-7(9)4-2-6;1-3-2;1-2/h1-3,5,7-9H,4H2;3H,1H2,2H3;1-2H3/b8-5+;;
InChIKeyGBGWDZUXUSCRHW-RMZRELHQSA-N
MW195.31 g/mol
LogP3.10
Rot. Bonds1

About ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene

ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene (PubChem CID 143193804) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene.

Molecular Properties

Compound Nameethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene
PubChem CID143193804
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene
SMILESC=CC.CC.[H]/N=C/C1=CCC(O)C=C1
InChIInChI=1S/C7H9NO.C3H6.C2H6/c8-5-6-1-3-7(9)4-2-6;1-3-2;1-2/h1-3,5,7-9H,4H2;3H,1H2,2H3;1-2H3/b8-5+;;
InChIKeyGBGWDZUXUSCRHW-RMZRELHQSA-N
XLogP3.10
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene 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

7-Fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol
CID 90929518
4-(2-Iminoethylidene)cyclohexa-2,5-dienol
CID 145707114
[(3R,4R)-4-methanimidoyl-3-methoxycyclohexa-1,5-dien-1-yl]methanol
CID 89339936
(4E,6Z)-4-methanimidoylocta-4,6-dien-3-ol
CID 89771739
(4E)-4-methanimidoyl-7-methylocta-4,6-dien-3-ol
CID 89771742
[6-(2-Iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol
CID 123575259
4-(Methyliminomethyl)cyclohexa-2,4-dien-1-ol
CID 123677955
(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol
CID 131998269
(Z,2E)-2-ethylidene-5-iminopent-3-en-1-ol
CID 137399864
(2E,3Z)-5-(2,3-dihydropyridin-5-yl)-2-ethylidenehexa-3,5-dien-1-ol;ethane
CID 141921339
(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol
CID 142016028
(3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol
CID 142150429

Frequently Asked Questions

What is the IUPAC name of ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene?
The IUPAC name of ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene (CID 143193804) is ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene.
What is the SMILES notation for ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene?
The canonical SMILES for ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene is C=CC.CC.[H]/N=C/C1=CCC(O)C=C1.
What is the InChIKey of ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene?
The InChIKey is GBGWDZUXUSCRHW-RMZRELHQSA-N. The full InChI is InChI=1S/C7H9NO.C3H6.C2H6/c8-5-6-1-3-7(9)4-2-6;1-3-2;1-2/h1-3,5,7-9H,4H2;3H,1H2,2H3;1-2H3/b8-5+;;.
What are the key properties of ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene?
ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene has a molecular weight of 195.31 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene is sourced from PubChem (CID 143193804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).