(2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde

C9H10O2 — CID 152840581

IUPAC(2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde
SMILESO=C[C@@H]1C2C=CC(C2)[C@@H]1C=O
InChIInChI=1S/C9H10O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,4-9H,3H2/t6?,7?,8-,9+
InChIKeyUYNITBWLFPWZLE-WZENYGAOSA-N
MW150.18 g/mol
LogP0.82
Rot. Bonds2

About (2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde

(2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde (PubChem CID 152840581) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde.

Molecular Properties

Compound Name(2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde
PubChem CID152840581
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde
SMILESO=C[C@@H]1C2C=CC(C2)[C@@H]1C=O
InChIInChI=1S/C9H10O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,4-9H,3H2/t6?,7?,8-,9+
InChIKeyUYNITBWLFPWZLE-WZENYGAOSA-N
XLogP0.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.82
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

(2S,3R)-3-ethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 130985593
3-formylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 22620607
(1S,2S,3S,4R)-3-cyclohexylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 102321834
(3-formyl-2-bicyclo[2.2.1]hept-5-enyl)carbamic acid
CID 123608731
methyl (1S,2R,3S,4R)-3-formylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15699518
5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene
CID 23119553
(2S,3R)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 134903596
3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 72796024
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
(1S,2R,3R,4R)-3-(4-methoxyphenyl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 102575898
2-[3-(2-oxoethyl)-2-bicyclo[2.2.1]hept-5-enyl]acetaldehyde
CID 59748043

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde?
The IUPAC name of (2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde (CID 152840581) is (2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde.
What is the SMILES notation for (2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde?
The canonical SMILES for (2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde is O=C[C@@H]1C2C=CC(C2)[C@@H]1C=O.
What is the InChIKey of (2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde?
The InChIKey is UYNITBWLFPWZLE-WZENYGAOSA-N. The full InChI is InChI=1S/C9H10O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,4-9H,3H2/t6?,7?,8-,9+.
What are the key properties of (2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde?
(2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde is sourced from PubChem (CID 152840581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).