1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one

C10H8O2 — CID 101320242

IUPAC1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one
SMILES[2H]C1([2H])C2Oc3ccccc3C(=O)C21
InChIInChI=1S/C10H8O2/c11-10-6-3-1-2-4-8(6)12-9-5-7(9)10/h1-4,7,9H,5H2/i5D2
InChIKeyDQYKWUOLGDGKNU-BFWBPSQCSA-N
MW162.18 g/mol
LogP1.65
Rot. Bonds

About 1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one

1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one (PubChem CID 101320242) has the molecular formula C10H8O2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one.

Molecular Properties

Compound Name1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one
PubChem CID101320242
Molecular FormulaC10H8O2
Molecular Weight162.18 g/mol
Exact Mass162.06
IUPAC Name1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one
SMILES[2H]C1([2H])C2Oc3ccccc3C(=O)C21
InChIInChI=1S/C10H8O2/c11-10-6-3-1-2-4-8(6)12-9-5-7(9)10/h1-4,7,9H,5H2/i5D2
InChIKeyDQYKWUOLGDGKNU-BFWBPSQCSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one?
The IUPAC name of 1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one (CID 101320242) is 1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one.
What is the SMILES notation for 1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one?
The canonical SMILES for 1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one is [2H]C1([2H])C2Oc3ccccc3C(=O)C21.
What is the InChIKey of 1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one?
The InChIKey is DQYKWUOLGDGKNU-BFWBPSQCSA-N. The full InChI is InChI=1S/C10H8O2/c11-10-6-3-1-2-4-8(6)12-9-5-7(9)10/h1-4,7,9H,5H2/i5D2.
What are the key properties of 1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one?
1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one has a molecular weight of 162.18 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one is sourced from PubChem (CID 101320242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).