5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol

C10H12O — CID 142555250

IUPAC5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol
SMILESC/C=C/C1=CCC=C(O)C=C1
InChIInChI=1S/C10H12O/c1-2-4-9-5-3-6-10(11)8-7-9/h2,4-8,11H,3H2,1H3/b4-2+
InChIKeyVNBSYQNHWBYYMF-DUXPYHPUSA-N
MW148.20 g/mol
LogP2.89
Rot. Bonds1

About 5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol

5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol (PubChem CID 142555250) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol
PubChem CID142555250
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol
SMILESC/C=C/C1=CCC=C(O)C=C1
InChIInChI=1S/C10H12O/c1-2-4-9-5-3-6-10(11)8-7-9/h2,4-8,11H,3H2,1H3/b4-2+
InChIKeyVNBSYQNHWBYYMF-DUXPYHPUSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-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

1-methyl-4-[(E)-prop-1-enyl]-2H-pyridine
CID 142996245
1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole
CID 143072506
5-(hydroxymethyl)cyclohepta-1,4,6-trien-1-ol
CID 143593276
2-prop-1-enylcyclopenta-1,3-diene;zirconium
CID 173351631
cyclohepta-1,4,6-trien-1-ol;propane
CID 143919108
(4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride
CID 53429663
2-but-1-enylcyclopenta-1,3-diene
CID 73196654
1-ethyl-3-prop-1-enylcyclopenta-1,3-diene
CID 57313548
(E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine
CID 23381955
6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol
CID 130413034
cyclohexa-1,5-dien-1-ol;ethane
CID 143526477
4-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine
CID 67932532

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol?
The IUPAC name of 5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol (CID 142555250) is 5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol.
What is the SMILES notation for 5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol?
The canonical SMILES for 5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol is C/C=C/C1=CCC=C(O)C=C1.
What is the InChIKey of 5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol?
The InChIKey is VNBSYQNHWBYYMF-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H12O/c1-2-4-9-5-3-6-10(11)8-7-9/h2,4-8,11H,3H2,1H3/b4-2+.
What are the key properties of 5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol?
5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol has a molecular weight of 148.20 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol is sourced from PubChem (CID 142555250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).