bicyclo[2.2.1]heptane-2,3-dicarbaldehyde

C9H12O2 — CID 13411221

IUPACbicyclo[2.2.1]heptane-2,3-dicarbaldehyde
SMILESO=CC1C2CCC(C2)C1C=O
InChIInChI=1S/C9H12O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h4-9H,1-3H2
InChIKeyHXJUEDMHTVNFBJ-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.05
Rot. Bonds2

About bicyclo[2.2.1]heptane-2,3-dicarbaldehyde

bicyclo[2.2.1]heptane-2,3-dicarbaldehyde (PubChem CID 13411221) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2,3-dicarbaldehyde.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-2,3-dicarbaldehyde
PubChem CID13411221
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namebicyclo[2.2.1]heptane-2,3-dicarbaldehyde
SMILESO=CC1C2CCC(C2)C1C=O
InChIInChI=1S/C9H12O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h4-9H,1-3H2
InChIKeyHXJUEDMHTVNFBJ-UHFFFAOYSA-N
XLogP1.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3R,4R)-3-ethenylbicyclo[2.2.1]heptane-2-carbaldehyde
CID 50897595
(1S,2R,3R,4S)-3-methylbicyclo[2.2.1]heptane-2-carbaldehyde
CID 131122970
bicyclo[2.2.1]heptane-7-carbaldehyde
CID 84647822
tert-butyl N-[(1S,2R,4R)-3-formyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 178199914
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
ethyl N-(3-formyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 23543652
ethyl N-[(1S,2S,3S,4R)-3-formyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 91390552
(1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde
CID 124571824
4-cyclopropylcyclohexane-1-carbaldehyde
CID 149055202
(Z)-7-(3-formyl-2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
CID 88676999
(1R,6S)-bicyclo[4.1.0]heptane-7-carbaldehyde
CID 84647819

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2,3-dicarbaldehyde?
The IUPAC name of bicyclo[2.2.1]heptane-2,3-dicarbaldehyde (CID 13411221) is bicyclo[2.2.1]heptane-2,3-dicarbaldehyde.
What is the SMILES notation for bicyclo[2.2.1]heptane-2,3-dicarbaldehyde?
The canonical SMILES for bicyclo[2.2.1]heptane-2,3-dicarbaldehyde is O=CC1C2CCC(C2)C1C=O.
What is the InChIKey of bicyclo[2.2.1]heptane-2,3-dicarbaldehyde?
The InChIKey is HXJUEDMHTVNFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h4-9H,1-3H2.
What are the key properties of bicyclo[2.2.1]heptane-2,3-dicarbaldehyde?
bicyclo[2.2.1]heptane-2,3-dicarbaldehyde has a molecular weight of 152.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-2,3-dicarbaldehyde is sourced from PubChem (CID 13411221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).