2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide

C9H14N4O — CID 104942020

IUPAC2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C9H14N4O/c10-9(14)5-13-6-11-4-8(13)7-2-1-3-12-7/h4,6-7,12H,1-3,5H2,(H2,10,14)/t7-/m0/s1
InChIKeyLQDSGGAIAKEZLD-ZETCQYMHSA-N
MW194.24 g/mol
LogP-0.21
Rot. Bonds3

About 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide

2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide (PubChem CID 104942020) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide
PubChem CID104942020
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C9H14N4O/c10-9(14)5-13-6-11-4-8(13)7-2-1-3-12-7/h4,6-7,12H,1-3,5H2,(H2,10,14)/t7-/m0/s1
InChIKeyLQDSGGAIAKEZLD-ZETCQYMHSA-N
XLogP-0.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide (CID 104942020) is 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide is NC(=O)Cn1cncc1[C@@H]1CCCN1.
What is the InChIKey of 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide?
The InChIKey is LQDSGGAIAKEZLD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4O/c10-9(14)5-13-6-11-4-8(13)7-2-1-3-12-7/h4,6-7,12H,1-3,5H2,(H2,10,14)/t7-/m0/s1.
What are the key properties of 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide?
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide has a molecular weight of 194.24 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 104942020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).