1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide

C12H22N2O2 — CID 175079605

IUPAC1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(N)=O)CCCN1C(=O)C(C)C
InChIInChI=1S/C12H22N2O2/c1-4-6-12(11(13)16)7-5-8-14(12)10(15)9(2)3/h9H,4-8H2,1-3H3,(H2,13,16)
InChIKeyHHZVVSQHCIEEAK-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.29
Rot. Bonds4

About 1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide

1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 175079605) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID175079605
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(N)=O)CCCN1C(=O)C(C)C
InChIInChI=1S/C12H22N2O2/c1-4-6-12(11(13)16)7-5-8-14(12)10(15)9(2)3/h9H,4-8H2,1-3H3,(H2,13,16)
InChIKeyHHZVVSQHCIEEAK-UHFFFAOYSA-N
XLogP1.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 158485166
(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 159272717
1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978795
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976004
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978794
1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978796
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-(2-amino-2-oxoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978992

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide (CID 175079605) is 1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(N)=O)CCCN1C(=O)C(C)C.
What is the InChIKey of 1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is HHZVVSQHCIEEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-6-12(11(13)16)7-5-8-14(12)10(15)9(2)3/h9H,4-8H2,1-3H3,(H2,13,16).
What are the key properties of 1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide?
1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 175079605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).