2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one

C10H19NO — CID 116570035

IUPAC2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)C1(C)CCNC1
InChIInChI=1S/C10H19NO/c1-9(2,3)8(12)10(4)5-6-11-7-10/h11H,5-7H2,1-4H3
InChIKeyJKVYQFKXSSHAKB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.60
Rot. Bonds1

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

2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one (PubChem CID 116570035) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
PubChem CID116570035
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)C1(C)CCNC1
InChIInChI=1S/C10H19NO/c1-9(2,3)8(12)10(4)5-6-11-7-10/h11H,5-7H2,1-4H3
InChIKeyJKVYQFKXSSHAKB-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116569850
3-methyl-1-(3-methylpyrrolidin-3-yl)but-2-en-1-one
CID 116570153
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 104828260
methyl 2-methyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 63139390
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
(2R)-3,3-dimethyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 113353123
(2S)-3,3-dimethyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 63141735
1-(3-methylpyrrolidin-3-yl)pent-4-en-1-one
CID 116569923
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 55164584
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 66185354
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 64549727

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one (CID 116570035) is 2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one is CC(C)(C)C(=O)C1(C)CCNC1.
What is the InChIKey of 2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one?
The InChIKey is JKVYQFKXSSHAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2,3)8(12)10(4)5-6-11-7-10/h11H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one?
2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one is sourced from PubChem (CID 116570035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).