1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide

C13H21N3O — CID 104971730

IUPAC1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C13H21N3O/c1-2-16-10-4-6-12(16)13(17)15-9-7-11-5-3-8-14-11/h4,6,10-11,14H,2-3,5,7-9H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyKBWIYJQDGCSEKO-LLVKDONJSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds5

About 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide

1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide (PubChem CID 104971730) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
PubChem CID104971730
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C13H21N3O/c1-2-16-10-4-6-12(16)13(17)15-9-7-11-5-3-8-14-11/h4,6,10-11,14H,2-3,5,7-9H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyKBWIYJQDGCSEKO-LLVKDONJSA-N
XLogP1.38
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955194
1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971656
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971697
1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106627150
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
4-bromo-1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955320
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
4-cyano-1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 74238300
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 62541280
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide (CID 104971730) is 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide is CCn1cccc1C(=O)NCC[C@H]1CCCN1.
What is the InChIKey of 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The InChIKey is KBWIYJQDGCSEKO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-10-4-6-12(16)13(17)15-9-7-11-5-3-8-14-11/h4,6,10-11,14H,2-3,5,7-9H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 104971730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).