1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide

C8H17N3O — CID 123406817

IUPAC1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide
SMILESCCN(C)N1CCCC1C(N)=O
InChIInChI=1S/C8H17N3O/c1-3-10(2)11-6-4-5-7(11)8(9)12/h7H,3-6H2,1-2H3,(H2,9,12)
InChIKeyYVRWXDVDMITLML-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.20
Rot. Bonds3

About 1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide

1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide (PubChem CID 123406817) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide
PubChem CID123406817
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide
SMILESCCN(C)N1CCCC1C(N)=O
InChIInChI=1S/C8H17N3O/c1-3-10(2)11-6-4-5-7(11)8(9)12/h7H,3-6H2,1-2H3,(H2,9,12)
InChIKeyYVRWXDVDMITLML-UHFFFAOYSA-N
XLogP-0.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-butylpyrrolidine-2-carboxamide
CID 19388617
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
(2S)-1-ethenylpyrrolidine-2-carboxamide
CID 142882543
1-N,1-N-diethylpiperidine-1,2-dicarboxamide
CID 115583146
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
CID 67308625
1-propanoylpiperidine-2-carboxamide
CID 60717244
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
2-carbamothioyl-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79159265
acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
CID 174327126

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide (CID 123406817) is 1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide is CCN(C)N1CCCC1C(N)=O.
What is the InChIKey of 1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is YVRWXDVDMITLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-10(2)11-6-4-5-7(11)8(9)12/h7H,3-6H2,1-2H3,(H2,9,12).
What are the key properties of 1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide?
1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123406817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).