bicyclo[4.1.0]heptane-3-carboxylic acid

C8H12O2 — CID 13203182

IUPACbicyclo[4.1.0]heptane-3-carboxylic acid
SMILESO=C(O)C1CCC2CC2C1
InChIInChI=1S/C8H12O2/c9-8(10)6-2-1-5-3-7(5)4-6/h5-7H,1-4H2,(H,9,10)
InChIKeyWFRDCXXZMJFGCL-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.51
Rot. Bonds1

About bicyclo[4.1.0]heptane-3-carboxylic acid

bicyclo[4.1.0]heptane-3-carboxylic acid (PubChem CID 13203182) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is bicyclo[4.1.0]heptane-3-carboxylic acid.

Molecular Properties

Compound Namebicyclo[4.1.0]heptane-3-carboxylic acid
PubChem CID13203182
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namebicyclo[4.1.0]heptane-3-carboxylic acid
SMILESO=C(O)C1CCC2CC2C1
InChIInChI=1S/C8H12O2/c9-8(10)6-2-1-5-3-7(5)4-6/h5-7H,1-4H2,(H,9,10)
InChIKeyWFRDCXXZMJFGCL-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-3-carboxylic acid
CID 131049059
4-[3-(4-carboxycyclohexyl)cyclohexyl]cyclohexane-1-carboxylic acid
CID 22445971
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid;acetic acid
CID 175499528
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
6-ethoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 163840432
(2R,4aR)-6-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 70542353
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
(3aR,6R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxylic acid
CID 100654235
2,3,3a,4,5,6,7,7a-octahydro-1H-indole-5-carboxylic acid
CID 83816131
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]heptane-3-carboxylic acid?
The IUPAC name of bicyclo[4.1.0]heptane-3-carboxylic acid (CID 13203182) is bicyclo[4.1.0]heptane-3-carboxylic acid.
What is the SMILES notation for bicyclo[4.1.0]heptane-3-carboxylic acid?
The canonical SMILES for bicyclo[4.1.0]heptane-3-carboxylic acid is O=C(O)C1CCC2CC2C1.
What is the InChIKey of bicyclo[4.1.0]heptane-3-carboxylic acid?
The InChIKey is WFRDCXXZMJFGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-8(10)6-2-1-5-3-7(5)4-6/h5-7H,1-4H2,(H,9,10).
What are the key properties of bicyclo[4.1.0]heptane-3-carboxylic acid?
bicyclo[4.1.0]heptane-3-carboxylic acid has a molecular weight of 140.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]heptane-3-carboxylic acid is sourced from PubChem (CID 13203182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).