1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one

C10H10O2 — CID 177198503

IUPAC1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one
SMILESO=C1CCOC2=C1C1CC1C=C2
InChIInChI=1S/C10H10O2/c11-8-3-4-12-9-2-1-6-5-7(6)10(8)9/h1-2,6-7H,3-5H2
InChIKeySXYFETQHKQLAHC-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.44
Rot. Bonds

About 1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one

1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one (PubChem CID 177198503) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one.

Molecular Properties

Compound Name1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one
PubChem CID177198503
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one
SMILESO=C1CCOC2=C1C1CC1C=C2
InChIInChI=1S/C10H10O2/c11-8-3-4-12-9-2-1-6-5-7(6)10(8)9/h1-2,6-7H,3-5H2
InChIKeySXYFETQHKQLAHC-UHFFFAOYSA-N
XLogP1.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one?
The IUPAC name of 1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one (CID 177198503) is 1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one.
What is the SMILES notation for 1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one?
The canonical SMILES for 1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one is O=C1CCOC2=C1C1CC1C=C2.
What is the InChIKey of 1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one?
The InChIKey is SXYFETQHKQLAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-8-3-4-12-9-2-1-6-5-7(6)10(8)9/h1-2,6-7H,3-5H2.
What are the key properties of 1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one?
1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one has a molecular weight of 162.19 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one is sourced from PubChem (CID 177198503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).