(3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide

C8H16N2O — CID 66936245

IUPAC(3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide
SMILESC[C@H]1CNC[C@@H]1C(=O)N(C)C
InChIInChI=1S/C8H16N2O/c1-6-4-9-5-7(6)8(11)10(2)3/h6-7,9H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyPYXAXGUAZSRECA-BQBZGAKWSA-N
MW156.23 g/mol
LogP-0.07
Rot. Bonds1

About (3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide

(3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide (PubChem CID 66936245) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide
PubChem CID66936245
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide
SMILESC[C@H]1CNC[C@@H]1C(=O)N(C)C
InChIInChI=1S/C8H16N2O/c1-6-4-9-5-7(6)8(11)10(2)3/h6-7,9H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyPYXAXGUAZSRECA-BQBZGAKWSA-N
XLogP-0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide (CID 66936245) is (3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide is C[C@H]1CNC[C@@H]1C(=O)N(C)C.
What is the InChIKey of (3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide?
The InChIKey is PYXAXGUAZSRECA-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-4-9-5-7(6)8(11)10(2)3/h6-7,9H,4-5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide?
(3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide has a molecular weight of 156.23 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 66936245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).