(3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide

C13H24N2O — CID 89459292

IUPAC(3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide
SMILESCC[C@@]1(C(=O)NC2CCCCC2)CCNC1
InChIInChI=1S/C13H24N2O/c1-2-13(8-9-14-10-13)12(16)15-11-6-4-3-5-7-11/h11,14H,2-10H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyZABDYXJLQQNRIA-CYBMUJFWSA-N
MW224.35 g/mol
LogP1.83
Rot. Bonds3

About (3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide

(3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide (PubChem CID 89459292) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide
PubChem CID89459292
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide
SMILESCC[C@@]1(C(=O)NC2CCCCC2)CCNC1
InChIInChI=1S/C13H24N2O/c1-2-13(8-9-14-10-13)12(16)15-11-6-4-3-5-7-11/h11,14H,2-10H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyZABDYXJLQQNRIA-CYBMUJFWSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide (CID 89459292) is (3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide is CC[C@@]1(C(=O)NC2CCCCC2)CCNC1.
What is the InChIKey of (3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is ZABDYXJLQQNRIA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-13(8-9-14-10-13)12(16)15-11-6-4-3-5-7-11/h11,14H,2-10H2,1H3,(H,15,16)/t13-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide?
(3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 89459292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).