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

C11H18N4O — CID 104942233

IUPACN-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C11H18N4O/c1-9(16)13-5-6-15-8-12-7-11(15)10-3-2-4-14-10/h7-8,10,14H,2-6H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyCRQFQQYDBHHGEP-JTQLQIEISA-N
MW222.29 g/mol
LogP0.44
Rot. Bonds4

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

N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide (PubChem CID 104942233) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide
PubChem CID104942233
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C11H18N4O/c1-9(16)13-5-6-15-8-12-7-11(15)10-3-2-4-14-10/h7-8,10,14H,2-6H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyCRQFQQYDBHHGEP-JTQLQIEISA-N
XLogP0.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide (CID 104942233) is N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide is CC(=O)NCCn1cncc1[C@@H]1CCCN1.
What is the InChIKey of N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide?
The InChIKey is CRQFQQYDBHHGEP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(16)13-5-6-15-8-12-7-11(15)10-3-2-4-14-10/h7-8,10,14H,2-6H2,1H3,(H,13,16)/t10-/m0/s1.
What are the key properties of N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide?
N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 104942233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).