1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea

C11H17N3O2 — CID 117235917

IUPAC1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
SMILESO=C(NCc1ccco1)NCC1CCNC1
InChIInChI=1S/C11H17N3O2/c15-11(13-7-9-3-4-12-6-9)14-8-10-2-1-5-16-10/h1-2,5,9,12H,3-4,6-8H2,(H2,13,14,15)
InChIKeyRBXMDXWIIDGUPP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.69
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea

1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea (PubChem CID 117235917) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
PubChem CID117235917
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
SMILESO=C(NCc1ccco1)NCC1CCNC1
InChIInChI=1S/C11H17N3O2/c15-11(13-7-9-3-4-12-6-9)14-8-10-2-1-5-16-10/h1-2,5,9,12H,3-4,6-8H2,(H2,13,14,15)
InChIKeyRBXMDXWIIDGUPP-UHFFFAOYSA-N
XLogP0.69
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525527
1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235911
1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone
CID 97165702
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 66289917
1-(pyrrolidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235427
1-(2-hydroxyphenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235769
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 66288226
N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53350337
1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea
CID 86769507

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea (CID 117235917) is 1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea is O=C(NCc1ccco1)NCC1CCNC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea?
The InChIKey is RBXMDXWIIDGUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11(13-7-9-3-4-12-6-9)14-8-10-2-1-5-16-10/h1-2,5,9,12H,3-4,6-8H2,(H2,13,14,15).
What are the key properties of 1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea?
1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea has a molecular weight of 223.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea is sourced from PubChem (CID 117235917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).