(1R,4R)-bicyclo[2.2.1]hept-2-en-7-one

C7H8O — CID 50919073

IUPAC(1R,4R)-bicyclo[2.2.1]hept-2-en-7-one
SMILESO=C1[C@H]2C=C[C@H]1CC2
InChIInChI=1S/C7H8O/c8-7-5-1-2-6(7)4-3-5/h1-2,5-6H,3-4H2/t5-,6-/m0/s1
InChIKeyMFJNQSKGBMOIDF-WDSKDSINSA-N
MW108.14 g/mol
LogP1.15
Rot. Bonds

About (1R,4R)-bicyclo[2.2.1]hept-2-en-7-one

(1R,4R)-bicyclo[2.2.1]hept-2-en-7-one (PubChem CID 50919073) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is (1R,4R)-bicyclo[2.2.1]hept-2-en-7-one.

Molecular Properties

Compound Name(1R,4R)-bicyclo[2.2.1]hept-2-en-7-one
PubChem CID50919073
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name(1R,4R)-bicyclo[2.2.1]hept-2-en-7-one
SMILESO=C1[C@H]2C=C[C@H]1CC2
InChIInChI=1S/C7H8O/c8-7-5-1-2-6(7)4-3-5/h1-2,5-6H,3-4H2/t5-,6-/m0/s1
InChIKeyMFJNQSKGBMOIDF-WDSKDSINSA-N
XLogP1.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4R)-bicyclo[2.2.1]hept-2-en-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-bicyclo[3.2.2]nona-3,6-dien-2-one
CID 11446357
(1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde
CID 10702135
(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene
CID 124556656
(1R,5R)-bicyclo[3.2.2]non-6-en-2-one
CID 131021178
(1R,3S,6R,8S)-tetracyclo[6.2.2.13,6.02,7]trideca-2(7),4,9-triene
CID 101270230
5,8-dihydroxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4,6,8,13-pentaene-3,10-dione
CID 163931596
pentacyclo[9.2.2.13,9.02,10.04,8]hexadeca-2(10),12-diene-5,7-dione
CID 90482695
(1S,4S)-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 6931995
(1S,2R,5R,7S)-tricyclo[3.2.1.02,7]oct-3-en-6-one
CID 131138904
8-(3,7,9,13-tetrathiapentacyclo[13.2.2.02,14.04,12.06,10]nonadeca-2(14),4,6(10),11,16-pentaen-8-ylidene)-3,7,9,13-tetrathiapentacyclo[13.2.2.02,14.04,12.06,10]nonadeca-2(14),4,6(10),11,16-pentaene
CID 58084140
(1S,3R,5R)-3-methylbicyclo[3.2.1]oct-6-en-2-one
CID 101347395
(2R,4S,5S)-2,4-dichlorobicyclo[3.2.1]oct-6-en-3-one
CID 22489717

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-bicyclo[2.2.1]hept-2-en-7-one?
The IUPAC name of (1R,4R)-bicyclo[2.2.1]hept-2-en-7-one (CID 50919073) is (1R,4R)-bicyclo[2.2.1]hept-2-en-7-one.
What is the SMILES notation for (1R,4R)-bicyclo[2.2.1]hept-2-en-7-one?
The canonical SMILES for (1R,4R)-bicyclo[2.2.1]hept-2-en-7-one is O=C1[C@H]2C=C[C@H]1CC2.
What is the InChIKey of (1R,4R)-bicyclo[2.2.1]hept-2-en-7-one?
The InChIKey is MFJNQSKGBMOIDF-WDSKDSINSA-N. The full InChI is InChI=1S/C7H8O/c8-7-5-1-2-6(7)4-3-5/h1-2,5-6H,3-4H2/t5-,6-/m0/s1.
What are the key properties of (1R,4R)-bicyclo[2.2.1]hept-2-en-7-one?
(1R,4R)-bicyclo[2.2.1]hept-2-en-7-one has a molecular weight of 108.14 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-bicyclo[2.2.1]hept-2-en-7-one is sourced from PubChem (CID 50919073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).