7H-cyclohepta[b]pyran-2-one;propane

C13H16O2 — CID 144980587

IUPAC7H-cyclohepta[b]pyran-2-one;propane
SMILESCCC.O=c1ccc2c(o1)C=CCC=C2
InChIInChI=1S/C10H8O2.C3H8/c11-10-7-6-8-4-2-1-3-5-9(8)12-10;1-3-2/h2-7H,1H2;3H2,1-2H3
InChIKeyHGBXAYOUOXACAK-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.49
Rot. Bonds

About 7H-cyclohepta[b]pyran-2-one;propane

7H-cyclohepta[b]pyran-2-one;propane (PubChem CID 144980587) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 7H-cyclohepta[b]pyran-2-one;propane.

Molecular Properties

Compound Name7H-cyclohepta[b]pyran-2-one;propane
PubChem CID144980587
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name7H-cyclohepta[b]pyran-2-one;propane
SMILESCCC.O=c1ccc2c(o1)C=CCC=C2
InChIInChI=1S/C10H8O2.C3H8/c11-10-7-6-8-4-2-1-3-5-9(8)12-10;1-3-2/h2-7H,1H2;3H2,1-2H3
InChIKeyHGBXAYOUOXACAK-UHFFFAOYSA-N
XLogP3.49
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6,7-dihydrochromen-2-one;propane
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cyclohexa-2,5-dien-1-one;ethane
CID 90976592
cyclohexa-1,4-diene;ethane;propane
CID 158923317
5,6-dipropylpyran-2-one
CID 15445692
6-hydroxy-5,6-dihydropyrano[3,2-b]pyridin-2-one
CID 123681583
ethane;3H-inden-5-ol;propane
CID 91292359
7H-cyclohepta[c]pyridazine;ethane
CID 143617760
tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene
CID 143380612
3-bromo-7H-benzo[7]annulene
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Frequently Asked Questions

What is the IUPAC name of 7H-cyclohepta[b]pyran-2-one;propane?
The IUPAC name of 7H-cyclohepta[b]pyran-2-one;propane (CID 144980587) is 7H-cyclohepta[b]pyran-2-one;propane.
What is the SMILES notation for 7H-cyclohepta[b]pyran-2-one;propane?
The canonical SMILES for 7H-cyclohepta[b]pyran-2-one;propane is CCC.O=c1ccc2c(o1)C=CCC=C2.
What is the InChIKey of 7H-cyclohepta[b]pyran-2-one;propane?
The InChIKey is HGBXAYOUOXACAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.C3H8/c11-10-7-6-8-4-2-1-3-5-9(8)12-10;1-3-2/h2-7H,1H2;3H2,1-2H3.
What are the key properties of 7H-cyclohepta[b]pyran-2-one;propane?
7H-cyclohepta[b]pyran-2-one;propane has a molecular weight of 204.27 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-cyclohepta[b]pyran-2-one;propane is sourced from PubChem (CID 144980587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).