1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one

C15H25NO3 — CID 79541106

IUPAC1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C15H25NO3/c1-9(17)8-13-6-5-7-16(13)15(18)14-10(2)11(3)19-12(14)4/h10-14H,5-8H2,1-4H3
InChIKeyHCUYLPNRVKHCDA-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.02
Rot. Bonds3

About 1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one

1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79541106) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79541106
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C15H25NO3/c1-9(17)8-13-6-5-7-16(13)15(18)14-10(2)11(3)19-12(14)4/h10-14H,5-8H2,1-4H3
InChIKeyHCUYLPNRVKHCDA-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)azepan-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 116636465
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 65160003
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile
CID 65156614
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
CID 79539984
2,2-dimethyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
CID 79540481
1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
CID 107178848
2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615306
1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
CID 107001622
(3-bromopiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80660679
1-[1-(4-butylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538798
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one (CID 79541106) is 1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1C(=O)C1C(C)OC(C)C1C.
What is the InChIKey of 1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is HCUYLPNRVKHCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-9(17)8-13-6-5-7-16(13)15(18)14-10(2)11(3)19-12(14)4/h10-14H,5-8H2,1-4H3.
What are the key properties of 1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 267.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79541106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).