1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde

C10H14O — CID 87279109

IUPAC1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESCCC12C=CC(CC1C=O)C2
InChIInChI=1S/C10H14O/c1-2-10-4-3-8(6-10)5-9(10)7-11/h3-4,7-9H,2,5-6H2,1H3
InChIKeyMTCRPDDSALCFTB-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds2

About 1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde

1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde (PubChem CID 87279109) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde.

Molecular Properties

Compound Name1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
PubChem CID87279109
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESCCC12C=CC(CC1C=O)C2
InChIInChI=1S/C10H14O/c1-2-10-4-3-8(6-10)5-9(10)7-11/h3-4,7-9H,2,5-6H2,1H3
InChIKeyMTCRPDDSALCFTB-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(6-formyl-1-bicyclo[2.2.1]hept-2-enyl)propanenitrile
CID 19751085
1-butylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 69426440
2-ethyl-2-methylcyclopropane-1-carbaldehyde
CID 54353190
spiro[2.4]hepta-4,6-diene-2-carbaldehyde
CID 13331179
(1aS,2aR)-3,5a-diethyl-1a,2,2a,3,6,6a-hexahydro-1H-cyclopropa[f]indene
CID 165009215
(1-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl) hydrogen carbonate
CID 70350439
6-methylbicyclo[2.2.1]hept-2-ene-1-thiol
CID 139905425
trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde
CID 93496108
2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde
CID 105446072
1-ethylbicyclo[3.2.1]oct-6-en-2-one
CID 130038318
(1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde
CID 58619266
1-trimethylsilylbicyclo[2.2.1]hept-5-en-2-ol
CID 90788649

Frequently Asked Questions

What is the IUPAC name of 1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The IUPAC name of 1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde (CID 87279109) is 1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde.
What is the SMILES notation for 1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The canonical SMILES for 1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde is CCC12C=CC(CC1C=O)C2.
What is the InChIKey of 1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The InChIKey is MTCRPDDSALCFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-10-4-3-8(6-10)5-9(10)7-11/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of 1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde is sourced from PubChem (CID 87279109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).