7,8-dihydrochromen-2-one

C9H8O2 — CID 18406288

IUPAC7,8-dihydrochromen-2-one
SMILESO=c1ccc2c(o1)CCC=C2
InChIInChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1,3,5-6H,2,4H2
InChIKeyPYIGABMGXQTWAC-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.60
Rot. Bonds

About 7,8-dihydrochromen-2-one

7,8-dihydrochromen-2-one (PubChem CID 18406288) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 7,8-dihydrochromen-2-one.

Molecular Properties

Compound Name7,8-dihydrochromen-2-one
PubChem CID18406288
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name7,8-dihydrochromen-2-one
SMILESO=c1ccc2c(o1)CCC=C2
InChIInChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1,3,5-6H,2,4H2
InChIKeyPYIGABMGXQTWAC-UHFFFAOYSA-N
XLogP1.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-6-(2-methylprop-1-en-1-yl)-2H-pyran-2-one
CID 13480869
5,6,7,8-tetrahydro-2H-chromen-2-one
CID 3964390
6-Propyl-2h-pyran-2-one
CID 6610108
2H-Pyran-2-one, 4-methoxy-5-methyl-6-propyl-
CID 11309896
Nocapyrone F
CID 53345950
2H,5H-Pyrano[4,3-b]pyran-2,5-dione, 4,7-dimethyl-
CID 136944
4-Methyl-6-isobutyl-2-pyranone
CID 6429146
Nocapyrone E
CID 53345949
4-Ethyl-6-methylpyran-2-one
CID 13758628
6-Ethyl-4-methyl-2H-pyran-2-one
CID 13758629
(e)-6-(1-Pentenyl)-2h-pyran-2-one
CID 11147910
4,6,8-Trimethyl-2H-cyclohepta(b)furan-2-one
CID 324821

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydrochromen-2-one?
The IUPAC name of 7,8-dihydrochromen-2-one (CID 18406288) is 7,8-dihydrochromen-2-one.
What is the SMILES notation for 7,8-dihydrochromen-2-one?
The canonical SMILES for 7,8-dihydrochromen-2-one is O=c1ccc2c(o1)CCC=C2.
What is the InChIKey of 7,8-dihydrochromen-2-one?
The InChIKey is PYIGABMGXQTWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1,3,5-6H,2,4H2.
What are the key properties of 7,8-dihydrochromen-2-one?
7,8-dihydrochromen-2-one has a molecular weight of 148.16 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydrochromen-2-one is sourced from PubChem (CID 18406288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).