N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide

C12H21N3O2 — CID 106187805

IUPACN-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC2CNC(=O)C2)CCCN1
InChIInChI=1S/C12H21N3O2/c1-2-4-12(5-3-6-14-12)11(17)15-9-7-10(16)13-8-9/h9,14H,2-8H2,1H3,(H,13,16)(H,15,17)
InChIKeyXMKZSXJTWCGARS-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.09
Rot. Bonds4

About N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide

N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106187805) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106187805
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC2CNC(=O)C2)CCCN1
InChIInChI=1S/C12H21N3O2/c1-2-4-12(5-3-6-14-12)11(17)15-9-7-10(16)13-8-9/h9,14H,2-8H2,1H3,(H,13,16)(H,15,17)
InChIKeyXMKZSXJTWCGARS-UHFFFAOYSA-N
XLogP-0.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclopentyl)-2-propylpyrrolidine-2-carboxamide
CID 106975483
N-[3-(cyclopropylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxamide
CID 106975460
N-[2-(cyclopropylamino)-2-oxoethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974234
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
cyclopentyl-(2-propylpyrrolidin-2-yl)methanone
CID 106976587
N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55247011
2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide
CID 106975887
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974332
N-octyl-2-propylpyrrolidine-2-carboxamide
CID 106975640
N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide
CID 106975717
1-[(2-propylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106974817
3-methyl-4-[(2-propylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 106975421

Frequently Asked Questions

What is the IUPAC name of N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide (CID 106187805) is N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NC2CNC(=O)C2)CCCN1.
What is the InChIKey of N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is XMKZSXJTWCGARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-4-12(5-3-6-14-12)11(17)15-9-7-10(16)13-8-9/h9,14H,2-8H2,1H3,(H,13,16)(H,15,17).
What are the key properties of N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide?
N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106187805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).