3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide

C9H19N3O — CID 127930996

IUPAC3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(CN(C)C)C1
InChIInChI=1S/C9H19N3O/c1-10-9(13)12-5-4-8(7-12)6-11(2)3/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyISCUBPSEKCEVGS-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.21
Rot. Bonds2

About 3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide

3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 127930996) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide
PubChem CID127930996
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(CN(C)C)C1
InChIInChI=1S/C9H19N3O/c1-10-9(13)12-5-4-8(7-12)6-11(2)3/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyISCUBPSEKCEVGS-UHFFFAOYSA-N
XLogP0.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide (CID 127930996) is 3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide is CNC(=O)N1CCC(CN(C)C)C1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is ISCUBPSEKCEVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-10-9(13)12-5-4-8(7-12)6-11(2)3/h8H,4-7H2,1-3H3,(H,10,13).
What are the key properties of 3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide?
3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 127930996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).