N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide

C12H21N3O2 — CID 119339093

IUPACN-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCC(NC(=O)C2CCCN2)C1
InChIInChI=1S/C12H21N3O2/c1-2-11(16)15-7-5-9(8-15)14-12(17)10-4-3-6-13-10/h9-10,13H,2-8H2,1H3,(H,14,17)
InChIKeyPCUYOMQTQNLMNM-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.13
Rot. Bonds3

About N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide

N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 119339093) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
PubChem CID119339093
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCC(NC(=O)C2CCCN2)C1
InChIInChI=1S/C12H21N3O2/c1-2-11(16)15-7-5-9(8-15)14-12(17)10-4-3-6-13-10/h9-10,13H,2-8H2,1H3,(H,14,17)
InChIKeyPCUYOMQTQNLMNM-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide (CID 119339093) is N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide is CCC(=O)N1CCC(NC(=O)C2CCCN2)C1.
What is the InChIKey of N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is PCUYOMQTQNLMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-11(16)15-7-5-9(8-15)14-12(17)10-4-3-6-13-10/h9-10,13H,2-8H2,1H3,(H,14,17).
What are the key properties of N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide?
N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119339093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).