5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

C11H16O2 — CID 71377793

IUPAC5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCC(C)C1CC(=O)C2=C1CCCO2
InChIInChI=1S/C11H16O2/c1-7(2)9-6-10(12)11-8(9)4-3-5-13-11/h7,9H,3-6H2,1-2H3
InChIKeyUBFJBADIFZUGKJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds1

About 5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 71377793) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID71377793
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCC(C)C1CC(=O)C2=C1CCCO2
InChIInChI=1S/C11H16O2/c1-7(2)9-6-10(12)11-8(9)4-3-5-13-11/h7,9H,3-6H2,1-2H3
InChIKeyUBFJBADIFZUGKJ-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of 5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 71377793) is 5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for 5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for 5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is CC(C)C1CC(=O)C2=C1CCCO2.
What is the InChIKey of 5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is UBFJBADIFZUGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(2)9-6-10(12)11-8(9)4-3-5-13-11/h7,9H,3-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 180.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 71377793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).