4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one

C12H23NO — CID 58049269

IUPAC4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one
SMILESCN1CCC(CC(=O)CC(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-12(2,3)8-11(14)7-10-5-6-13(4)9-10/h10H,5-9H2,1-4H3
InChIKeyBMCVDURDILNMSE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds3

About 4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one

4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one (PubChem CID 58049269) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one
PubChem CID58049269
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one
SMILESCN1CCC(CC(=O)CC(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-12(2,3)8-11(14)7-10-5-6-13(4)9-10/h10H,5-9H2,1-4H3
InChIKeyBMCVDURDILNMSE-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Pentanone, 1-cyclopentyl-4,4-dimethyl-5-(dimethylamino)-
CID 199228
2,2-dimethyl-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one
CID 10080791
2,2-Dimethyl-1-(1-methylpyrrolidin-2-YL)propan-1-one
CID 15758088
2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one
CID 59080127
(4R)-4-fluoro-2,2-dimethyl-7-pyrrolidin-1-ylheptan-3-one
CID 146214260
(5R)-2-methyl-2-azaspiro[4.5]decan-7-one
CID 14814830
3-methyl-1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butan-2-one
CID 159728863
3-methyl-1-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butan-2-one
CID 159728864
1,1,1-Trifluoro-3-(3-methyl-1-propylpyrrolidin-3-yl)propan-2-one
CID 162548919
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethan-1-one
CID 164649357
2-Methyl-2-azaspiro[4.5]decan-7-one
CID 14814829
4,4,5-Trimethyl-6-pyrrolidin-1-yl-6-selanylidenehexan-2-one
CID 85769263

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one?
The IUPAC name of 4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one (CID 58049269) is 4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one.
What is the SMILES notation for 4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one?
The canonical SMILES for 4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one is CN1CCC(CC(=O)CC(C)(C)C)C1.
What is the InChIKey of 4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one?
The InChIKey is BMCVDURDILNMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)8-11(14)7-10-5-6-13(4)9-10/h10H,5-9H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one?
4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1-methylpyrrolidin-3-yl)pentan-2-one is sourced from PubChem (CID 58049269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).