(2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate

C10H13N3O3 — CID 134348666

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate
SMILESO=C(COC(=O)n1ccnc1)N1CCCC1
InChIInChI=1S/C10H13N3O3/c14-9(12-4-1-2-5-12)7-16-10(15)13-6-3-11-8-13/h3,6,8H,1-2,4-5,7H2
InChIKeyOKQXRZNWZXTRBH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.49
Rot. Bonds2

About (2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate (PubChem CID 134348666) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate
PubChem CID134348666
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate
SMILESO=C(COC(=O)n1ccnc1)N1CCCC1
InChIInChI=1S/C10H13N3O3/c14-9(12-4-1-2-5-12)7-16-10(15)13-6-3-11-8-13/h3,6,8H,1-2,4-5,7H2
InChIKeyOKQXRZNWZXTRBH-UHFFFAOYSA-N
XLogP0.49
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-acetyloxyacetyl)piperidin-4-yl]methyl imidazole-1-carboxylate
CID 153315357
imidazol-1-yl pyrrolidine-1-carboxylate
CID 175327814
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
(1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate
CID 135338878
butyl imidazole-1-carboxylate
CID 12840941
(2-oxo-2-piperidin-1-ylethyl) carbamate
CID 175217966
[1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate
CID 135337374
N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide
CID 81257423
2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate
CID 89467135
N-cyclopentyloxyimidazole-1-carboxamide
CID 83198309
4,4,4-trifluorobutyl imidazole-1-carboxylate
CID 71419641
[4-[(E)-3-oxo-2-(piperidine-1-carbonyl)but-1-enyl]phenyl] imidazole-1-carboxylate
CID 144703760

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate (CID 134348666) is (2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate is O=C(COC(=O)n1ccnc1)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate?
The InChIKey is OKQXRZNWZXTRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9(12-4-1-2-5-12)7-16-10(15)13-6-3-11-8-13/h3,6,8H,1-2,4-5,7H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate is sourced from PubChem (CID 134348666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).