5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde

C10H14O — CID 130025197

IUPAC5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde
SMILESC=CC12CCCC1(C=O)CC2
InChIInChI=1S/C10H14O/c1-2-9-4-3-5-10(9,8-11)7-6-9/h2,8H,1,3-7H2
InChIKeyAZYDAHQPLAMUTL-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.32
Rot. Bonds2

About 5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde

5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde (PubChem CID 130025197) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde.

Molecular Properties

Compound Name5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde
PubChem CID130025197
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde
SMILESC=CC12CCCC1(C=O)CC2
InChIInChI=1S/C10H14O/c1-2-9-4-3-5-10(9,8-11)7-6-9/h2,8H,1,3-7H2
InChIKeyAZYDAHQPLAMUTL-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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

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1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde
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4-ethenylpiperidine-4-carbaldehyde;methoxyethane
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1-formylcyclopentane-1-sulfonic acid
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2-ethenyl-2-pent-3-ynoxycyclopentan-1-one
CID 102184312
1-hydroxycyclooctane-1-carbaldehyde
CID 130025311
3-(trifluoromethyl)bicyclo[1.1.0]butane-1-carbaldehyde
CID 162377485
(1S,4S)-4-formyl-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxylic acid
CID 98469716
3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carbaldehyde
CID 175429669
ethene;prop-2-enal
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CID 174612694

Frequently Asked Questions

What is the IUPAC name of 5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde?
The IUPAC name of 5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde (CID 130025197) is 5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde.
What is the SMILES notation for 5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde?
The canonical SMILES for 5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde is C=CC12CCCC1(C=O)CC2.
What is the InChIKey of 5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde?
The InChIKey is AZYDAHQPLAMUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-9-4-3-5-10(9,8-11)7-6-9/h2,8H,1,3-7H2.
What are the key properties of 5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde?
5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylbicyclo[3.2.0]heptane-1-carbaldehyde is sourced from PubChem (CID 130025197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).