1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea

C13H17N3O3 — CID 71909131

IUPAC1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)NC1CCN(C2CC2)C1=O
InChIInChI=1S/C13H17N3O3/c17-12-11(5-6-16(12)9-3-4-9)15-13(18)14-8-10-2-1-7-19-10/h1-2,7,9,11H,3-6,8H2,(H2,14,15,18)
InChIKeyWTLHQKHFUPVQCK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.84
Rot. Bonds4

About 1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea

1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea (PubChem CID 71909131) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea
PubChem CID71909131
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)NC1CCN(C2CC2)C1=O
InChIInChI=1S/C13H17N3O3/c17-12-11(5-6-16(12)9-3-4-9)15-13(18)14-8-10-2-1-7-19-10/h1-2,7,9,11H,3-6,8H2,(H2,14,15,18)
InChIKeyWTLHQKHFUPVQCK-UHFFFAOYSA-N
XLogP0.84
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea
CID 75377793
N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 124866485
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 6594091
1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 45198219
1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
CID 128975594
1-(furan-2-ylmethyl)-3-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
CID 91910732
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678128
1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea
CID 75405456

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea (CID 71909131) is 1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea is O=C(NCc1ccco1)NC1CCN(C2CC2)C1=O.
What is the InChIKey of 1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea?
The InChIKey is WTLHQKHFUPVQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12-11(5-6-16(12)9-3-4-9)15-13(18)14-8-10-2-1-7-19-10/h1-2,7,9,11H,3-6,8H2,(H2,14,15,18).
What are the key properties of 1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea?
1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea has a molecular weight of 263.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 71909131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).