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

C12H21NO2 — CID 116592114

IUPAC1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCC1NCCC1C(=O)CCC1CCCO1
InChIInChI=1S/C12H21NO2/c1-9-11(6-7-13-9)12(14)5-4-10-3-2-8-15-10/h9-11,13H,2-8H2,1H3
InChIKeyIZJFNJRALNQQKH-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.51
Rot. Bonds4

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

1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 116592114) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID116592114
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCC1NCCC1C(=O)CCC1CCCO1
InChIInChI=1S/C12H21NO2/c1-9-11(6-7-13-9)12(14)5-4-10-3-2-8-15-10/h9-11,13H,2-8H2,1H3
InChIKeyIZJFNJRALNQQKH-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388240
1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one
CID 107187091
2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 115780995
1-(3-methyl-1,4-dithian-2-yl)-3-(oxolan-2-yl)propan-1-one
CID 115385790
4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one
CID 116564211
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
N-(2-methylpiperidin-4-yl)-3-(oxan-2-yl)propanamide
CID 106995469
1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one
CID 116557342
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 51728648
N-(azetidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 66187540

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one (CID 116592114) is 1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one is CC1NCCC1C(=O)CCC1CCCO1.
What is the InChIKey of 1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is IZJFNJRALNQQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-11(6-7-13-9)12(14)5-4-10-3-2-8-15-10/h9-11,13H,2-8H2,1H3.
What are the key properties of 1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one?
1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 116592114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).