(3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide

C8H16N2O — CID 95049046

IUPAC(3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide
SMILESCC[C@H]1CN(C(N)=O)C[C@H]1C
InChIInChI=1S/C8H16N2O/c1-3-7-5-10(8(9)11)4-6(7)2/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7+/m1/s1
InChIKeyZQPAXPWRGVDLRG-RQJHMYQMSA-N
MW156.23 g/mol
LogP1.04
Rot. Bonds1

About (3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide

(3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide (PubChem CID 95049046) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide
PubChem CID95049046
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide
SMILESCC[C@H]1CN(C(N)=O)C[C@H]1C
InChIInChI=1S/C8H16N2O/c1-3-7-5-10(8(9)11)4-6(7)2/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7+/m1/s1
InChIKeyZQPAXPWRGVDLRG-RQJHMYQMSA-N
XLogP1.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide (CID 95049046) is (3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide is CC[C@H]1CN(C(N)=O)C[C@H]1C.
What is the InChIKey of (3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide?
The InChIKey is ZQPAXPWRGVDLRG-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-7-5-10(8(9)11)4-6(7)2/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7+/m1/s1.
What are the key properties of (3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide?
(3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide has a molecular weight of 156.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95049046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).