1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one

C10H12O2 — CID 101027128

IUPAC1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCC(C)OC12C=CC1C=CC2=O
InChIInChI=1S/C10H12O2/c1-7(2)12-10-6-5-8(10)3-4-9(10)11/h3-8H,1-2H3
InChIKeyLNPFRLNURQFIHI-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.48
Rot. Bonds2

About 1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one

1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one (PubChem CID 101027128) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one.

Molecular Properties

Compound Name1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one
PubChem CID101027128
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCC(C)OC12C=CC1C=CC2=O
InChIInChI=1S/C10H12O2/c1-7(2)12-10-6-5-8(10)3-4-9(10)11/h3-8H,1-2H3
InChIKeyLNPFRLNURQFIHI-UHFFFAOYSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-1-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936375
4,6,6-trimethylcyclohex-2-en-1-one
CID 10920581
(1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one
CID 102121899
(3aR,6aS)-4,4,6a-trimethyl-3aH-pentalen-1-one
CID 162402216
(4S,5R)-5-hydroxy-4-methoxy-5-(methoxymethyl)cyclopent-2-en-1-one
CID 14566528
[(2S)-6,6-dimethyl-5-oxo-2H-pyran-2-yl] 2-methylpropanoate
CID 166439758
(1R,5S)-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 23310174
4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one
CID 557443
(4R,5S)-5-methyl-4-propan-2-yl-5-prop-2-enylcyclopent-2-en-1-one
CID 131109256
(2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one
CID 101353726
5,5-di(propan-2-yl)cyclohex-2-ene-1,4-dione
CID 174494735
1-[(1R)-1-cyclopropylethyl]pyrrole-2,5-dione
CID 51703961

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The IUPAC name of 1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one (CID 101027128) is 1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one.
What is the SMILES notation for 1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The canonical SMILES for 1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one is CC(C)OC12C=CC1C=CC2=O.
What is the InChIKey of 1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The InChIKey is LNPFRLNURQFIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7(2)12-10-6-5-8(10)3-4-9(10)11/h3-8H,1-2H3.
What are the key properties of 1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one?
1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one has a molecular weight of 164.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one is sourced from PubChem (CID 101027128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).