1-(3-methyl-2H-pyran-2-yl)ethanone

C8H10O2 — CID 141173110

IUPAC1-(3-methyl-2H-pyran-2-yl)ethanone
SMILESCC(=O)C1OC=CC=C1C
InChIInChI=1S/C8H10O2/c1-6-4-3-5-10-8(6)7(2)9/h3-5,8H,1-2H3
InChIKeyDJABZXKQYCZGID-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.43
Rot. Bonds1

About 1-(3-methyl-2H-pyran-2-yl)ethanone

1-(3-methyl-2H-pyran-2-yl)ethanone (PubChem CID 141173110) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(3-methyl-2H-pyran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-2H-pyran-2-yl)ethanone
PubChem CID141173110
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-(3-methyl-2H-pyran-2-yl)ethanone
SMILESCC(=O)C1OC=CC=C1C
InChIInChI=1S/C8H10O2/c1-6-4-3-5-10-8(6)7(2)9/h3-5,8H,1-2H3
InChIKeyDJABZXKQYCZGID-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dipyranyl ketone
CID 66751384
1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone
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1-(2,6-dimethyl-2H-pyran-5-yl)ethanone
CID 12500718
Pivaloyl 2h pyrane
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(4E)-5-fluoro-4-(1-fluoroethenyl)-3-methoxyhepta-4,6-dien-2-one
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(4Z)-3-ethoxy-4-(1-fluoroethenyl)hepta-4,6-dien-2-one
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1-(2H-pyran-2-yl)ethanone
CID 20253312
1-(5-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone
CID 21986131
1-Cyclohexa-1,5-dien-1-yloxypropan-2-one
CID 23166254
7,8a-Dihydrochromen-8-one
CID 57312610
4,6-Dihydrochromen-6-id-3-one
CID 58490936
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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2H-pyran-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-2H-pyran-2-yl)ethanone (CID 141173110) is 1-(3-methyl-2H-pyran-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-2H-pyran-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-2H-pyran-2-yl)ethanone is CC(=O)C1OC=CC=C1C.
What is the InChIKey of 1-(3-methyl-2H-pyran-2-yl)ethanone?
The InChIKey is DJABZXKQYCZGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-6-4-3-5-10-8(6)7(2)9/h3-5,8H,1-2H3.
What are the key properties of 1-(3-methyl-2H-pyran-2-yl)ethanone?
1-(3-methyl-2H-pyran-2-yl)ethanone has a molecular weight of 138.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2H-pyran-2-yl)ethanone is sourced from PubChem (CID 141173110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).