1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea

C15H23N3O3 — CID 45198219

IUPAC1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
SMILESCC(C)(C)CN1CC(NC(=O)NCc2ccco2)CC1=O
InChIInChI=1S/C15H23N3O3/c1-15(2,3)10-18-9-11(7-13(18)19)17-14(20)16-8-12-5-4-6-21-12/h4-6,11H,7-10H2,1-3H3,(H2,16,17,20)
InChIKeySNRPCYJAOVEYBG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.73
Rot. Bonds4

About 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea

1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea (PubChem CID 45198219) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
PubChem CID45198219
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
SMILESCC(C)(C)CN1CC(NC(=O)NCc2ccco2)CC1=O
InChIInChI=1S/C15H23N3O3/c1-15(2,3)10-18-9-11(7-13(18)19)17-14(20)16-8-12-5-4-6-21-12/h4-6,11H,7-10H2,1-3H3,(H2,16,17,20)
InChIKeySNRPCYJAOVEYBG-UHFFFAOYSA-N
XLogP1.73
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
CID 25373724
1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 7215524
1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
CID 45241705
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-phenylsulfanylacetamide
CID 42525734
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 25485689
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
CID 45224983
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 42455012
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide
CID 95316735
(3R)-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94045963
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 45217208
1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
CID 128975594

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea (CID 45198219) is 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea is CC(C)(C)CN1CC(NC(=O)NCc2ccco2)CC1=O.
What is the InChIKey of 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea?
The InChIKey is SNRPCYJAOVEYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)10-18-9-11(7-13(18)19)17-14(20)16-8-12-5-4-6-21-12/h4-6,11H,7-10H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea?
1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea has a molecular weight of 293.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 45198219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).