1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea

C17H25N3O3 — CID 75500633

IUPAC1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
SMILESCc1cc(C(C)NC(=O)NCC2CC(=O)N(C3CC3)C2)c(C)o1
InChIInChI=1S/C17H25N3O3/c1-10-6-15(12(3)23-10)11(2)19-17(22)18-8-13-7-16(21)20(9-13)14-4-5-14/h6,11,13-14H,4-5,7-9H2,1-3H3,(H2,18,19,22)
InChIKeyJMROTWWJAKZEGD-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.27
Rot. Bonds5

About 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea

1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea (PubChem CID 75500633) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
PubChem CID75500633
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
SMILESCc1cc(C(C)NC(=O)NCC2CC(=O)N(C3CC3)C2)c(C)o1
InChIInChI=1S/C17H25N3O3/c1-10-6-15(12(3)23-10)11(2)19-17(22)18-8-13-7-16(21)20(9-13)14-4-5-14/h6,11,13-14H,4-5,7-9H2,1-3H3,(H2,18,19,22)
InChIKeyJMROTWWJAKZEGD-UHFFFAOYSA-N
XLogP2.27
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea?
The IUPAC name of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea (CID 75500633) is 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea?
The canonical SMILES for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea is Cc1cc(C(C)NC(=O)NCC2CC(=O)N(C3CC3)C2)c(C)o1.
What is the InChIKey of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea?
The InChIKey is JMROTWWJAKZEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-10-6-15(12(3)23-10)11(2)19-17(22)18-8-13-7-16(21)20(9-13)14-4-5-14/h6,11,13-14H,4-5,7-9H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea?
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea has a molecular weight of 319.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea is sourced from PubChem (CID 75500633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).