N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C11H18N4O2 — CID 155028673

IUPACN-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCC2=CNCN2)CC1=O
InChIInChI=1S/C11H18N4O2/c1-15-6-8(4-10(15)16)11(17)13-3-2-9-5-12-7-14-9/h5,8,12,14H,2-4,6-7H2,1H3,(H,13,17)
InChIKeyJDPJFVAETULLEK-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.04
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 155028673) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID155028673
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCC2=CNCN2)CC1=O
InChIInChI=1S/C11H18N4O2/c1-15-6-8(4-10(15)16)11(17)13-3-2-9-5-12-7-14-9/h5,8,12,14H,2-4,6-7H2,1H3,(H,13,17)
InChIKeyJDPJFVAETULLEK-UHFFFAOYSA-N
XLogP-1.04
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 155028673) is N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCCC2=CNCN2)CC1=O.
What is the InChIKey of N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JDPJFVAETULLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15-6-8(4-10(15)16)11(17)13-3-2-9-5-12-7-14-9/h5,8,12,14H,2-4,6-7H2,1H3,(H,13,17).
What are the key properties of N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 155028673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).