3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone

C12H16O2 — CID 45098701

IUPAC3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone
SMILESCC1=C(C(=O)C2=CCCCO2)CCC1
InChIInChI=1S/C12H16O2/c1-9-5-4-6-10(9)12(13)11-7-2-3-8-14-11/h7H,2-6,8H2,1H3
InChIKeyDHLNKNDQRGEZRP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.75
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone (PubChem CID 45098701) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone
PubChem CID45098701
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone
SMILESCC1=C(C(=O)C2=CCCCO2)CCC1
InChIInChI=1S/C12H16O2/c1-9-5-4-6-10(9)12(13)11-7-2-3-8-14-11/h7H,2-6,8H2,1H3
InChIKeyDHLNKNDQRGEZRP-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone (CID 45098701) is 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone is CC1=C(C(=O)C2=CCCCO2)CCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone?
The InChIKey is DHLNKNDQRGEZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-5-4-6-10(9)12(13)11-7-2-3-8-14-11/h7H,2-6,8H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone has a molecular weight of 192.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone is sourced from PubChem (CID 45098701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).