2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one

C10H20N2O — CID 177012883

IUPAC2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one
SMILESCN[C@H]1C[C@@H](C)N(C(=O)C(C)C)C1
InChIInChI=1S/C10H20N2O/c1-7(2)10(13)12-6-9(11-4)5-8(12)3/h7-9,11H,5-6H2,1-4H3/t8-,9+/m1/s1
InChIKeyHFGVNMJVEFEGRR-BDAKNGLRSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds2

About 2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one

2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 177012883) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID177012883
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one
SMILESCN[C@H]1C[C@@H](C)N(C(=O)C(C)C)C1
InChIInChI=1S/C10H20N2O/c1-7(2)10(13)12-6-9(11-4)5-8(12)3/h7-9,11H,5-6H2,1-4H3/t8-,9+/m1/s1
InChIKeyHFGVNMJVEFEGRR-BDAKNGLRSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83989811
(2R)-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 124777756
(2S)-N-[(1S)-2-[(2R,4S)-4-acetamido-2-methylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 70943022
1-[(2S,5S)-5-(aminomethyl)-2-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 174081766
3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 83697103
2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one
CID 147250143
(4S)-4-(methylamino)-1-(2-methylbutanoyl)pyrrolidine-2-carbonitrile
CID 177013341
(1S)-5-(2-methylpropanoyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 146571829
2-methyl-1-[(2S,6S)-2,4,6-trimethylpiperidin-1-yl]propan-1-one
CID 160985602
(2S)-1-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-3,3-dimethyl-2-(methylamino)butan-1-one
CID 167242697
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
(2S)-1-[(2R)-4-hydroxy-2-methylpyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 163386527

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one (CID 177012883) is 2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one is CN[C@H]1C[C@@H](C)N(C(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is HFGVNMJVEFEGRR-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)10(13)12-6-9(11-4)5-8(12)3/h7-9,11H,5-6H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of 2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one?
2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 177012883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).