N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide

C13H24N2O — CID 81388379

IUPACN-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)C1(C)CCNC1)C1CCCC1
InChIInChI=1S/C13H24N2O/c1-10(11-5-3-4-6-11)15-12(16)13(2)7-8-14-9-13/h10-11,14H,3-9H2,1-2H3,(H,15,16)/t10-,13?/m1/s1
InChIKeyRKPMVKZIORHDOC-VUUHIHSGSA-N
MW224.35 g/mol
LogP1.68
Rot. Bonds3

About N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide

N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 81388379) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID81388379
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)C1(C)CCNC1)C1CCCC1
InChIInChI=1S/C13H24N2O/c1-10(11-5-3-4-6-11)15-12(16)13(2)7-8-14-9-13/h10-11,14H,3-9H2,1-2H3,(H,15,16)/t10-,13?/m1/s1
InChIKeyRKPMVKZIORHDOC-VUUHIHSGSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide (CID 81388379) is N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide is C[C@@H](NC(=O)C1(C)CCNC1)C1CCCC1.
What is the InChIKey of N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is RKPMVKZIORHDOC-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(11-5-3-4-6-11)15-12(16)13(2)7-8-14-9-13/h10-11,14H,3-9H2,1-2H3,(H,15,16)/t10-,13?/m1/s1.
What are the key properties of N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide?
N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81388379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).