4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde

C11H16O — CID 152780092

IUPAC4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde
SMILESCC1=C(C=O)CC2CCC(C1)C2
InChIInChI=1S/C11H16O/c1-8-4-9-2-3-10(5-9)6-11(8)7-12/h7,9-10H,2-6H2,1H3
InChIKeyBPGKYRLWSJMVDE-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.71
Rot. Bonds1

About 4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde

4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde (PubChem CID 152780092) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde.

Molecular Properties

Compound Name4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde
PubChem CID152780092
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde
SMILESCC1=C(C=O)CC2CCC(C1)C2
InChIInChI=1S/C11H16O/c1-8-4-9-2-3-10(5-9)6-11(8)7-12/h7,9-10H,2-6H2,1H3
InChIKeyBPGKYRLWSJMVDE-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.71
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

acetaldehyde;bicyclo[3.2.1]octane
CID 155693421
2,4-dimethylcyclohexene-1-carbaldehyde
CID 23505473
4-methylcyclohexene-1,2-dicarbaldehyde
CID 147376792
3-(methoxymethylidene)bicyclo[3.2.1]octane
CID 154370383
3,4-ditert-butylbicyclo[4.2.1]non-3-ene
CID 170545999
acetaldehyde;adamantan-1-ol
CID 175101814
2,3,4-trimethylcyclohexa-1,3-diene-1-carbaldehyde
CID 87516432
bicyclo[2.2.1]heptane;3,4-dimethylpyrrole-2,5-dione
CID 67630482
bicyclo[2.2.1]heptane;2-fluoroacetaldehyde
CID 45123092
3-methyl-2-azabicyclo[3.2.1]oct-2-ene
CID 14087255
N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide
CID 89421114
bicyclo[2.2.2]octan-2-one;ethane
CID 91487453

Frequently Asked Questions

What is the IUPAC name of 4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde?
The IUPAC name of 4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde (CID 152780092) is 4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde.
What is the SMILES notation for 4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde?
The canonical SMILES for 4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde is CC1=C(C=O)CC2CCC(C1)C2.
What is the InChIKey of 4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde?
The InChIKey is BPGKYRLWSJMVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8-4-9-2-3-10(5-9)6-11(8)7-12/h7,9-10H,2-6H2,1H3.
What are the key properties of 4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde?
4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde has a molecular weight of 164.25 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbicyclo[4.2.1]non-3-ene-3-carbaldehyde is sourced from PubChem (CID 152780092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).