1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane

C10H20N2O2 — CID 171808100

IUPAC1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
SMILESCC.CNC(=O)C1CCN(C(C)=O)C1
InChIInChI=1S/C8H14N2O2.C2H6/c1-6(11)10-4-3-7(5-10)8(12)9-2;1-2/h7H,3-5H2,1-2H3,(H,9,12);1-2H3
InChIKeyRXKTZOZNCMEZSC-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.63
Rot. Bonds1

About 1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane

1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane (PubChem CID 171808100) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane.

Molecular Properties

Compound Name1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
PubChem CID171808100
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
SMILESCC.CNC(=O)C1CCN(C(C)=O)C1
InChIInChI=1S/C8H14N2O2.C2H6/c1-6(11)10-4-3-7(5-10)8(12)9-2;1-2/h7H,3-5H2,1-2H3,(H,9,12);1-2H3
InChIKeyRXKTZOZNCMEZSC-UHFFFAOYSA-N
XLogP0.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 124995488
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
1-acetyl-N-hydroxypiperidine-4-carboxamide
CID 126992136
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide
CID 130957847
2,3-dimethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 103194981
(6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide
CID 124974127
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319
1-acetyl-N-oxopyrrolidine-3-carboxamide
CID 118074956
1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide
CID 130660566
1-acetyl-N-tert-butylpiperidine-4-carboxamide
CID 17148671
1-acetyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 43392752

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane?
The IUPAC name of 1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane (CID 171808100) is 1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane.
What is the SMILES notation for 1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane?
The canonical SMILES for 1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane is CC.CNC(=O)C1CCN(C(C)=O)C1.
What is the InChIKey of 1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane?
The InChIKey is RXKTZOZNCMEZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C2H6/c1-6(11)10-4-3-7(5-10)8(12)9-2;1-2/h7H,3-5H2,1-2H3,(H,9,12);1-2H3.
What are the key properties of 1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane?
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane has a molecular weight of 200.28 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane is sourced from PubChem (CID 171808100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).