N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide

C10H16N4O — CID 47186159

IUPACN-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccnc1)N1CCCC1
InChIInChI=1S/C10H16N4O/c15-10(14-5-1-2-6-14)12-4-8-13-7-3-11-9-13/h3,7,9H,1-2,4-6,8H2,(H,12,15)
InChIKeyDRLLWBWVYWSPCJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.69
Rot. Bonds3

About N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide

N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 47186159) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide
PubChem CID47186159
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccnc1)N1CCCC1
InChIInChI=1S/C10H16N4O/c15-10(14-5-1-2-6-14)12-4-8-13-7-3-11-9-13/h3,7,9H,1-2,4-6,8H2,(H,12,15)
InChIKeyDRLLWBWVYWSPCJ-UHFFFAOYSA-N
XLogP0.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Imidazol-1-ylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 2726661
4-(1H-imidazol-1-yl)butan-1-amine
CID 4379480
1-(4-Imidazol-1-ylbut-2-ynyl)-1,3,3-trimethylurea
CID 15065573
1-(4-Imidazol-1-ylbut-2-ynyl)imidazolidin-2-one
CID 15065575
1-(4-Imidazol-1-ylbut-2-ynyl)-3-methylimidazolidin-2-one
CID 15065577
1,3-Dihydro-1-[4-(1H-imidazol-1-yl)-2-butynyl]-3-methyl-2H-imidazol-2-one
CID 15065579
1-(5-Imidazol-1-ylpent-3-yn-2-yl)-3-methylimidazolidin-2-one
CID 15065581
N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
1-(pyrrolidine-1-carbonyl)-1H-imidazole
CID 12185907
1-(3-(1H-imidazol-1-yl)propyl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea
CID 659593
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide (CID 47186159) is N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide is O=C(NCCn1ccnc1)N1CCCC1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is DRLLWBWVYWSPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10(14-5-1-2-6-14)12-4-8-13-7-3-11-9-13/h3,7,9H,1-2,4-6,8H2,(H,12,15).
What are the key properties of N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide?
N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47186159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).