3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde

C12H12O2 — CID 72796024

IUPAC3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESO=CC1C2C=CC(C2)C1c1ccco1
InChIInChI=1S/C12H12O2/c13-7-10-8-3-4-9(6-8)12(10)11-2-1-5-14-11/h1-5,7-10,12H,6H2
InChIKeyKIXHCTRVOKQBCB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.38
Rot. Bonds2

About 3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde

3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde (PubChem CID 72796024) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde.

Molecular Properties

Compound Name3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
PubChem CID72796024
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESO=CC1C2C=CC(C2)C1c1ccco1
InChIInChI=1S/C12H12O2/c13-7-10-8-3-4-9(6-8)12(10)11-2-1-5-14-11/h1-5,7-10,12H,6H2
InChIKeyKIXHCTRVOKQBCB-UHFFFAOYSA-N
XLogP2.38
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 54772496
(1R,2R,3S,4S)-3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 11961766
3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 73154357
(2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde
CID 152840581
N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine
CID 54772514
(1S,2R,3R,4R)-3-(4-methoxyphenyl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 102575898
cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde
CID 101079486
(1S,2S,6R,7S)-4-(furan-2-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 20575713
(1S,2S,3R,4R)-3-(furan-2-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 102059336
(1R,2S,6S,7R)-4-[(Z)-furan-2-ylmethylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124536939
(3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde
CID 59963922
2-(furan-2-yl)cyclobutane-1-carboxylic acid
CID 81009452

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The IUPAC name of 3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde (CID 72796024) is 3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde.
What is the SMILES notation for 3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The canonical SMILES for 3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde is O=CC1C2C=CC(C2)C1c1ccco1.
What is the InChIKey of 3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The InChIKey is KIXHCTRVOKQBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-7-10-8-3-4-9(6-8)12(10)11-2-1-5-14-11/h1-5,7-10,12H,6H2.
What are the key properties of 3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde is sourced from PubChem (CID 72796024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).