(1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one

C10H8O2 — CID 71586811

IUPAC(1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one
SMILESO=C1Oc2ccccc2[C@H]2C[C@@H]12
InChIInChI=1S/C10H8O2/c11-10-8-5-7(8)6-3-1-2-4-9(6)12-10/h1-4,7-8H,5H2/t7-,8-/m1/s1
InChIKeyBSNSPNHWEMGXBT-HTQZYQBOSA-N
MW160.17 g/mol
LogP1.71
Rot. Bonds

About (1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one

(1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one (PubChem CID 71586811) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is (1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one.

Molecular Properties

Compound Name(1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one
PubChem CID71586811
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name(1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one
SMILESO=C1Oc2ccccc2[C@H]2C[C@@H]12
InChIInChI=1S/C10H8O2/c11-10-8-5-7(8)6-3-1-2-4-9(6)12-10/h1-4,7-8H,5H2/t7-,8-/m1/s1
InChIKeyBSNSPNHWEMGXBT-HTQZYQBOSA-N
XLogP1.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one?
The IUPAC name of (1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one (CID 71586811) is (1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one.
What is the SMILES notation for (1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one?
The canonical SMILES for (1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one is O=C1Oc2ccccc2[C@H]2C[C@@H]12.
What is the InChIKey of (1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one?
The InChIKey is BSNSPNHWEMGXBT-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H8O2/c11-10-8-5-7(8)6-3-1-2-4-9(6)12-10/h1-4,7-8H,5H2/t7-,8-/m1/s1.
What are the key properties of (1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one?
(1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one has a molecular weight of 160.17 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7bS)-1a,7b-dihydro-1H-cyclopropa[c]chromen-2-one is sourced from PubChem (CID 71586811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).