[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate

C8H10O2 — CID 101061525

IUPAC[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate
SMILESO=CO[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C8H10O2/c9-5-10-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2/t6-,7+,8+/m1/s1
InChIKeyMHANBCJKSCKIMT-CSMHCCOUSA-N
MW138.17 g/mol
LogP1.12
Rot. Bonds2

About [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate

[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate (PubChem CID 101061525) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate.

Molecular Properties

Compound Name[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate
PubChem CID101061525
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate
SMILESO=CO[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C8H10O2/c9-5-10-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2/t6-,7+,8+/m1/s1
InChIKeyMHANBCJKSCKIMT-CSMHCCOUSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.12
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

[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl] acetate
CID 1268036
2-bicyclo[2.2.1]hept-5-enyl methyl carbonate
CID 19379180
3-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butan-2-ol
CID 58743430
CID 177443621
CID 177443621
5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybicyclo[2.2.1]hept-2-ene
CID 102594862
(4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 118065983
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-oxoacetaldehyde
CID 163214887
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
5-propoxybicyclo[2.2.1]hept-2-ene
CID 22754180
(1S,4S,5S)-5-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene
CID 101216179
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 11869221
sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride
CID 173449401

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate?
The IUPAC name of [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate (CID 101061525) is [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate.
What is the SMILES notation for [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate?
The canonical SMILES for [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate is O=CO[C@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate?
The InChIKey is MHANBCJKSCKIMT-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H10O2/c9-5-10-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2/t6-,7+,8+/m1/s1.
What are the key properties of [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate?
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate has a molecular weight of 138.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate is sourced from PubChem (CID 101061525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).