1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide

C11H19ClN2O2 — CID 106317997

IUPAC1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C(C)CCl)C1
InChIInChI=1S/C11H19ClN2O2/c1-8(6-12)9(15)14-5-4-11(2,7-14)10(16)13-3/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyMKRUBMQFPODBPY-UHFFFAOYSA-N
MW246.74 g/mol
LogP0.85
Rot. Bonds3

About 1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317997) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317997
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C(C)CCl)C1
InChIInChI=1S/C11H19ClN2O2/c1-8(6-12)9(15)14-5-4-11(2,7-14)10(16)13-3/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyMKRUBMQFPODBPY-UHFFFAOYSA-N
XLogP0.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminopropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318154
1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318225
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-N,1-N,3-N,3-tetramethylpyrrolidine-1,3-dicarboxamide
CID 106132532
1-(2-hydroxy-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318601
1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321120
(2S)-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 106320831
(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 106320575
1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114172830
1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318300
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 106322158

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317997) is 1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)C(C)CCl)C1.
What is the InChIKey of 1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is MKRUBMQFPODBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-8(6-12)9(15)14-5-4-11(2,7-14)10(16)13-3/h8H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 246.74 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).