1-(2H-pyran-6-yl)ethanone

C7H8O2 — CID 54534004

IUPAC1-(2H-pyran-6-yl)ethanone
SMILESCC(=O)C1=CC=CCO1
InChIInChI=1S/C7H8O2/c1-6(8)7-4-2-3-5-9-7/h2-4H,5H2,1H3
InChIKeyYYMTUTNIMKMQSU-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.05
Rot. Bonds1

About 1-(2H-pyran-6-yl)ethanone

1-(2H-pyran-6-yl)ethanone (PubChem CID 54534004) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-(2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name1-(2H-pyran-6-yl)ethanone
PubChem CID54534004
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name1-(2H-pyran-6-yl)ethanone
SMILESCC(=O)C1=CC=CCO1
InChIInChI=1S/C7H8O2/c1-6(8)7-4-2-3-5-9-7/h2-4H,5H2,1H3
InChIKeyYYMTUTNIMKMQSU-UHFFFAOYSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2H-pyran-6-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dihydro-2H-pyran-3-one
CID 4672596
Nigrosporapyrone D
CID 42611989
4-Methoxycyclohexa-2,4-dien-1-one
CID 10890720
6-Methoxycyclohexa-2,4-dienone
CID 20030810
1-(2H-furan-5-ylidene)propan-2-one
CID 54479570
6-methyl-3,6-dihydro-2H-pyran-3-one
CID 76118878
1-(4-Fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-one
CID 68173363
2-Prop-2-enoxycyclohepta-2,4,6-trien-1-one
CID 10487198
InChI=1/C9H10O3/c1-11-8-6-4-3-5-7(10)9(8)12-2/h3-6H,1-2H
CID 12557647
2,6-Dimethoxy-2,4,6-cycloheptatrien-1-one
CID 12557668
6-Ethoxycyclohexadienone
CID 129821929
2,3-Dihydrocyclohepta[b][1,4]dioxin-5-one
CID 90477299

Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyran-6-yl)ethanone?
The IUPAC name of 1-(2H-pyran-6-yl)ethanone (CID 54534004) is 1-(2H-pyran-6-yl)ethanone.
What is the SMILES notation for 1-(2H-pyran-6-yl)ethanone?
The canonical SMILES for 1-(2H-pyran-6-yl)ethanone is CC(=O)C1=CC=CCO1.
What is the InChIKey of 1-(2H-pyran-6-yl)ethanone?
The InChIKey is YYMTUTNIMKMQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-6(8)7-4-2-3-5-9-7/h2-4H,5H2,1H3.
What are the key properties of 1-(2H-pyran-6-yl)ethanone?
1-(2H-pyran-6-yl)ethanone has a molecular weight of 124.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyran-6-yl)ethanone is sourced from PubChem (CID 54534004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).