6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde

C9H10O — CID 147217206

IUPAC6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde
SMILESCC12C=CC(C=O)=CC1C2
InChIInChI=1S/C9H10O/c1-9-3-2-7(6-10)4-8(9)5-9/h2-4,6,8H,5H2,1H3
InChIKeyCGIWYTMKFIDOAO-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.71
Rot. Bonds1

About 6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde

6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde (PubChem CID 147217206) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde.

Molecular Properties

Compound Name6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde
PubChem CID147217206
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde
SMILESCC12C=CC(C=O)=CC1C2
InChIInChI=1S/C9H10O/c1-9-3-2-7(6-10)4-8(9)5-9/h2-4,6,8H,5H2,1H3
InChIKeyCGIWYTMKFIDOAO-UHFFFAOYSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine
CID 143275893
4-tert-butyl-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 163363398
(1S,7R)-8,8-dimethylbicyclo[5.1.0]octa-2,4-diene-3-carbaldehyde
CID 162404722
6-(4-methylphenyl)-7-thiabicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde
CID 141162546
7a-hydroxy-3aH-1,3-benzodioxole-5-carbaldehyde
CID 140662479
4-hydroxy-3,4-dimethoxycyclohexa-1,5-diene-1-carbaldehyde
CID 86650355
4-hydroxy-3-methoxy-4-(methoxymethoxy)cyclohexa-1,5-diene-1-carbaldehyde
CID 139713616
3,5,5-trimethylcyclohexene-1-carbaldehyde
CID 11084067
7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde
CID 14342390
4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde
CID 141496247
(7aS)-3a,7a-dihydro-1,3-benzodioxole-5-carbaldehyde
CID 90048315
9-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-(4-methylcyclohepta-1,3,6-trien-1-yl)fluorene
CID 145105624

Frequently Asked Questions

What is the IUPAC name of 6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde?
The IUPAC name of 6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde (CID 147217206) is 6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde.
What is the SMILES notation for 6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde?
The canonical SMILES for 6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde is CC12C=CC(C=O)=CC1C2.
What is the InChIKey of 6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde?
The InChIKey is CGIWYTMKFIDOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-9-3-2-7(6-10)4-8(9)5-9/h2-4,6,8H,5H2,1H3.
What are the key properties of 6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde?
6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde has a molecular weight of 134.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbicyclo[4.1.0]hepta-2,4-diene-3-carbaldehyde is sourced from PubChem (CID 147217206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).