2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one

C11H16O2 — CID 115798134

IUPAC2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
SMILESCC(C(=O)C1=COCCC1)C1CC1
InChIInChI=1S/C11H16O2/c1-8(9-4-5-9)11(12)10-3-2-6-13-7-10/h7-9H,2-6H2,1H3
InChIKeyTYDQWIKASZSLHV-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds3

About 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one

2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one (PubChem CID 115798134) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
PubChem CID115798134
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
SMILESCC(C(=O)C1=COCCC1)C1CC1
InChIInChI=1S/C11H16O2/c1-8(9-4-5-9)11(12)10-3-2-6-13-7-10/h7-9H,2-6H2,1H3
InChIKeyTYDQWIKASZSLHV-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone
CID 130855794
(2E)-4,4-dimethyl-2-[[11-methyl-10,10-di(propan-2-yl)dodecoxy]methylidene]cyclohexan-1-one
CID 149632450
1-cyclopropyl-2-(3,4-dihydro-2H-pyran-4-yl)ethanone
CID 15213566
2-(1-Ethoxypropan-2-yl)-3,5-dimethyl-2,3-dihydropyran-4-one
CID 21718470
2-(1-Methoxypropan-2-yl)-3,5-dimethyl-2,3-dihydropyran-4-one
CID 21719300
1-[(4aS,7aR)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]ethanone
CID 59954686
2,2-diethyl-5-propan-2-yl-3H-pyran-4-one
CID 102328821
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-one
CID 103023488
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
CID 103168064
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103168065
1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-one
CID 104058234
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one
CID 104058236

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one (CID 115798134) is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one is CC(C(=O)C1=COCCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one?
The InChIKey is TYDQWIKASZSLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(9-4-5-9)11(12)10-3-2-6-13-7-10/h7-9H,2-6H2,1H3.
What are the key properties of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one?
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one is sourced from PubChem (CID 115798134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).