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

C11H17N3O2 — CID 117235911

IUPAC1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)NCC1CCCN1
InChIInChI=1S/C11H17N3O2/c15-11(13-7-9-3-1-5-12-9)14-8-10-4-2-6-16-10/h2,4,6,9,12H,1,3,5,7-8H2,(H2,13,14,15)
InChIKeyBFGXICOLSNBDBI-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.83
Rot. Bonds4

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

1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea (PubChem CID 117235911) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
PubChem CID117235911
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)NCC1CCCN1
InChIInChI=1S/C11H17N3O2/c15-11(13-7-9-3-1-5-12-9)14-8-10-4-2-6-16-10/h2,4,6,9,12H,1,3,5,7-8H2,(H2,13,14,15)
InChIKeyBFGXICOLSNBDBI-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235917
2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 106599799
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-propan-2-ylurea
CID 819269
1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea
CID 86769507
1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea
CID 117235618
N-[3-(furan-2-ylmethoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 61364298
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
CID 121495574
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63257535
N-(furan-2-ylmethyl)-3-piperidin-2-ylpropan-1-amine
CID 62212334

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea (CID 117235911) is 1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea is O=C(NCc1ccco1)NCC1CCCN1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is BFGXICOLSNBDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11(13-7-9-3-1-5-12-9)14-8-10-4-2-6-16-10/h2,4,6,9,12H,1,3,5,7-8H2,(H2,13,14,15).
What are the key properties of 1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea?
1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 223.28 g/mol, XLogP of 0.83, 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-2-ylmethyl)urea is sourced from PubChem (CID 117235911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).