3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one

C14H25NO2 — CID 106982059

IUPAC3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one
SMILESCC(C)C1(C(=O)CCC2CCCO2)CCNC1
InChIInChI=1S/C14H25NO2/c1-11(2)14(7-8-15-10-14)13(16)6-5-12-4-3-9-17-12/h11-12,15H,3-10H2,1-2H3
InChIKeyYHYUMHSGVBNFHQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.15
Rot. Bonds5

About 3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one

3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one (PubChem CID 106982059) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one
PubChem CID106982059
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one
SMILESCC(C)C1(C(=O)CCC2CCCO2)CCNC1
InChIInChI=1S/C14H25NO2/c1-11(2)14(7-8-15-10-14)13(16)6-5-12-4-3-9-17-12/h11-12,15H,3-10H2,1-2H3
InChIKeyYHYUMHSGVBNFHQ-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one
CID 116567709
2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982172
2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982112
3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-ol
CID 65162228
1-(1-ethoxycycloheptyl)-3-(oxolan-2-yl)propan-1-one
CID 116750803
N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980679
2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 106981820
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 120887184
1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one
CID 58143477
3-(oxolan-2-yl)-N-(1-piperidin-4-ylethyl)propanamide
CID 65154890
4-cyclopropyl-1-(oxolan-2-yl)pentan-3-one
CID 114976906
3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid
CID 65162206

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one?
The IUPAC name of 3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one (CID 106982059) is 3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one.
What is the SMILES notation for 3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one?
The canonical SMILES for 3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one is CC(C)C1(C(=O)CCC2CCCO2)CCNC1.
What is the InChIKey of 3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one?
The InChIKey is YHYUMHSGVBNFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)14(7-8-15-10-14)13(16)6-5-12-4-3-9-17-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one?
3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one is sourced from PubChem (CID 106982059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).