2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one

C15H27NO2 — CID 90247373

IUPAC2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one
SMILESCC1CC(C(C)C(=O)N2CCC[C@H]2C)CC(C)O1
InChIInChI=1S/C15H27NO2/c1-10-6-5-7-16(10)15(17)13(4)14-8-11(2)18-12(3)9-14/h10-14H,5-9H2,1-4H3/t10-,11?,12?,13?,14?/m1/s1
InChIKeyNEAAONFTSABCHQ-ZGCIAEMCSA-N
MW253.39 g/mol
LogP2.84
Rot. Bonds2

About 2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one

2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one (PubChem CID 90247373) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one
PubChem CID90247373
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one
SMILESCC1CC(C(C)C(=O)N2CCC[C@H]2C)CC(C)O1
InChIInChI=1S/C15H27NO2/c1-10-6-5-7-16(10)15(17)13(4)14-8-11(2)18-12(3)9-14/h10-14H,5-9H2,1-4H3/t10-,11?,12?,13?,14?/m1/s1
InChIKeyNEAAONFTSABCHQ-ZGCIAEMCSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
propan-2-yl 2-methylpyrrolidine-1-carboxylate
CID 58164988
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
CID 58185317
[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175179046
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
[(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 176864232
(2S)-1-(2,6-dimethyloxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 110835674
2-(methylamino)-N-[1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]propanamide
CID 123953640
methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68574299

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one (CID 90247373) is 2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one is CC1CC(C(C)C(=O)N2CCC[C@H]2C)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one?
The InChIKey is NEAAONFTSABCHQ-ZGCIAEMCSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10-6-5-7-16(10)15(17)13(4)14-8-11(2)18-12(3)9-14/h10-14H,5-9H2,1-4H3/t10-,11?,12?,13?,14?/m1/s1.
What are the key properties of 2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one?
2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 90247373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).