N,1,3-trimethylpyrrolidine-3-carboxamide

C8H16N2O — CID 127012569

IUPACN,1,3-trimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C)C1
InChIInChI=1S/C8H16N2O/c1-8(7(11)9-2)4-5-10(3)6-8/h4-6H2,1-3H3,(H,9,11)
InChIKeyCBRLPHPFFVCZDC-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.07
Rot. Bonds1

About N,1,3-trimethylpyrrolidine-3-carboxamide

N,1,3-trimethylpyrrolidine-3-carboxamide (PubChem CID 127012569) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N,1,3-trimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1,3-trimethylpyrrolidine-3-carboxamide
PubChem CID127012569
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN,1,3-trimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C)C1
InChIInChI=1S/C8H16N2O/c1-8(7(11)9-2)4-5-10(3)6-8/h4-6H2,1-3H3,(H,9,11)
InChIKeyCBRLPHPFFVCZDC-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethylpyrrolidine-3-carboxamide?
The IUPAC name of N,1,3-trimethylpyrrolidine-3-carboxamide (CID 127012569) is N,1,3-trimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N,1,3-trimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N,1,3-trimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C)C1.
What is the InChIKey of N,1,3-trimethylpyrrolidine-3-carboxamide?
The InChIKey is CBRLPHPFFVCZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(7(11)9-2)4-5-10(3)6-8/h4-6H2,1-3H3,(H,9,11).
What are the key properties of N,1,3-trimethylpyrrolidine-3-carboxamide?
N,1,3-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 N,1,3-trimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 127012569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).