bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid

C12H24O4 — CID 158917737

IUPACbicyclo[2.2.1]heptane;methanol;prop-2-enoic acid
SMILESC1CC2CCC1C2.C=CC(=O)O.CO.CO
InChIInChI=1S/C7H12.C3H4O2.2CH4O/c1-2-7-4-3-6(1)5-7;1-2-3(4)5;2*1-2/h6-7H,1-5H2;2H,1H2,(H,4,5);2*2H,1H3
InChIKeyJHLFMECTNVNQAG-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.67
Rot. Bonds1

About bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid

bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid (PubChem CID 158917737) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane;methanol;prop-2-enoic acid
PubChem CID158917737
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Namebicyclo[2.2.1]heptane;methanol;prop-2-enoic acid
SMILESC1CC2CCC1C2.C=CC(=O)O.CO.CO
InChIInChI=1S/C7H12.C3H4O2.2CH4O/c1-2-7-4-3-6(1)5-7;1-2-3(4)5;2*1-2/h6-7H,1-5H2;2H,1H2,(H,4,5);2*2H,1H3
InChIKeyJHLFMECTNVNQAG-UHFFFAOYSA-N
XLogP1.67
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

adamantane;methanol;bis(prop-2-enoic acid)
CID 158302509
methanol;prop-2-enoic acid
CID 159043362
1-azabicyclo[2.2.2]octane;prop-2-enoic acid
CID 126596403
acetyl chloride;bicyclo[2.2.1]heptane
CID 157265989
carbonochloridic acid;prop-2-enoic acid
CID 159375670
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
methanethiol;prop-2-enoic acid
CID 158379466
prop-2-enoic acid;hydrochloride
CID 22354205
lutetium;tris(prop-2-enoic acid)
CID 168865611
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hexahydrate
CID 172682107
bis(prop-2-enoic acid);hydrochloride
CID 88811054

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid?
The IUPAC name of bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid (CID 158917737) is bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid.
What is the SMILES notation for bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid?
The canonical SMILES for bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid is C1CC2CCC1C2.C=CC(=O)O.CO.CO.
What is the InChIKey of bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid?
The InChIKey is JHLFMECTNVNQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C3H4O2.2CH4O/c1-2-7-4-3-6(1)5-7;1-2-3(4)5;2*1-2/h6-7H,1-5H2;2H,1H2,(H,4,5);2*2H,1H3.
What are the key properties of bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid?
bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid has a molecular weight of 232.32 g/mol, XLogP of 1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid is sourced from PubChem (CID 158917737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).