[(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone

C9H12N2O — CID 140972419

IUPAC[(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C9H12N2O/c12-9(7-3-1-5-10-7)8-4-2-6-11-8/h1,3,5,8,10-11H,2,4,6H2/t8-/m0/s1
InChIKeyNFEUBURNIHKONI-QMMMGPOBSA-N
MW164.21 g/mol
LogP0.95
Rot. Bonds2

About [(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone

[(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 140972419) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID140972419
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name[(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C9H12N2O/c12-9(7-3-1-5-10-7)8-4-2-6-11-8/h1,3,5,8,10-11H,2,4,6H2/t8-/m0/s1
InChIKeyNFEUBURNIHKONI-QMMMGPOBSA-N
XLogP0.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl(1H-pyrrol-2-yl)methanone
CID 13432026
1H-imidazol-5-yl(pyrrolidin-2-yl)methanone
CID 84731572
(2-fluorophenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 89281976
phenyl(piperidin-2-yl)methanone
CID 19772085
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 42076627
1H-imidazol-5-yl(piperidin-2-yl)methanone
CID 84732201
phenyl-[(2S)-pyrrolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 21080202
1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone
CID 116547417
bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
CID 70124841
[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
CID 57323043
2-bicyclo[2.2.2]octanyl(1H-pyrrol-2-yl)methanone
CID 131208754

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone (CID 140972419) is [(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is NFEUBURNIHKONI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9(7-3-1-5-10-7)8-4-2-6-11-8/h1,3,5,8,10-11H,2,4,6H2/t8-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone?
[(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 164.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 140972419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).