(1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one

C7H6O — CID 71445549

IUPAC(1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESO=C1C=CC2C=C[C@@H]12
InChIInChI=1S/C7H6O/c8-7-4-2-5-1-3-6(5)7/h1-6H/t5?,6-/m1/s1
InChIKeyMPLZNSSYMBHANZ-PRJDIBJQSA-N
MW106.12 g/mol
LogP0.93
Rot. Bonds

About (1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one

(1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one (PubChem CID 71445549) has the molecular formula C7H6O and a molecular weight of 106.12 g/mol. Its IUPAC name is (1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one.

Molecular Properties

Compound Name(1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one
PubChem CID71445549
Molecular FormulaC7H6O
Molecular Weight106.12 g/mol
Exact Mass106.04
IUPAC Name(1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESO=C1C=CC2C=C[C@@H]12
InChIInChI=1S/C7H6O/c8-7-4-2-5-1-3-6(5)7/h1-6H/t5?,6-/m1/s1
InChIKeyMPLZNSSYMBHANZ-PRJDIBJQSA-N
XLogP0.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 130754405
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CID 101224719
6-methyl-6,6a-dihydro-3aH-pentalen-1-one
CID 72755552
tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione
CID 14893582
(1S,2S,6R,7R)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 15130687
(1S,2R,6S,7S)-tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 98644929
4-ethylidenebicyclo[3.2.0]hepta-2,6-diene
CID 57022662
bicyclo[2.1.0]pent-2-en-5-one
CID 71441751
(1'R,2'S,4'S,7'S,10'S,11'S)-spiro[cyclopentane-1,9'-pentacyclo[9.3.2.14,7.02,10.03,8]heptadeca-3(8),13,15-triene]-12'-one
CID 125036517
(E,4E)-4-(2-bicyclo[3.2.0]hepta-3,6-dienylidene)but-2-enal
CID 13168705
4-hydroxy-4-methyl-3a,6a-dihydropentalen-1-one
CID 72814704
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CID 59939751

Frequently Asked Questions

What is the IUPAC name of (1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one?
The IUPAC name of (1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one (CID 71445549) is (1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one.
What is the SMILES notation for (1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one?
The canonical SMILES for (1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one is O=C1C=CC2C=C[C@@H]12.
What is the InChIKey of (1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one?
The InChIKey is MPLZNSSYMBHANZ-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H6O/c8-7-4-2-5-1-3-6(5)7/h1-6H/t5?,6-/m1/s1.
What are the key properties of (1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one?
(1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one has a molecular weight of 106.12 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one is sourced from PubChem (CID 71445549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).