5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

C7H7ClO — CID 141176231

IUPAC5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCC12C=CC=C(Cl)C1O2
InChIInChI=1S/C7H7ClO/c1-7-4-2-3-5(8)6(7)9-7/h2-4,6H,1H3
InChIKeyWKRZNJVEISBCIG-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.84
Rot. Bonds

About 5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 141176231) has the molecular formula C7H7ClO and a molecular weight of 142.59 g/mol. Its IUPAC name is 5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID141176231
Molecular FormulaC7H7ClO
Molecular Weight142.59 g/mol
Exact Mass142.02
IUPAC Name5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCC12C=CC=C(Cl)C1O2
InChIInChI=1S/C7H7ClO/c1-7-4-2-3-5(8)6(7)9-7/h2-4,6H,1H3
InChIKeyWKRZNJVEISBCIG-UHFFFAOYSA-N
XLogP1.84
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene 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-5-nitro-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 141352434
4,5-dimethoxy-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 156700477
2,6-dichloro-6-ethylcyclohexa-2,4-dien-1-ol
CID 154271946
carbamothioylazanium;1,5-dichloro-6-iodo-5-methylcyclohexa-1,3-diene
CID 135616763
1-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 152697783
2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol
CID 70363496
N-[(1,5-dichloro-6-methylcyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine
CID 175471819
1,5,6-trichlorocyclohexa-2,4-diene-1-carbonitrile
CID 146567583
1-chloro-3,7-dimethylcyclohepta-1,3,5-triene
CID 143627296
1-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
CID 70171741
(3aS,4S,7R,7aS)-2-(4-chlorophenyl)-7-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
CID 11903643
5,8a-dimethyl-4aH-quinoline
CID 155419679

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 141176231) is 5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is CC12C=CC=C(Cl)C1O2.
What is the InChIKey of 5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is WKRZNJVEISBCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO/c1-7-4-2-3-5(8)6(7)9-7/h2-4,6H,1H3.
What are the key properties of 5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 142.59 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 141176231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).