1-(furan-2-yl)-3-pyrrolidin-3-ylurea

C9H13N3O2 — CID 117235239

IUPAC1-(furan-2-yl)-3-pyrrolidin-3-ylurea
SMILESO=C(Nc1ccco1)NC1CCNC1
InChIInChI=1S/C9H13N3O2/c13-9(11-7-3-4-10-6-7)12-8-2-1-5-14-8/h1-2,5,7,10H,3-4,6H2,(H2,11,12,13)
InChIKeyMHZRSXVDZLFAFG-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.76
Rot. Bonds2

About 1-(furan-2-yl)-3-pyrrolidin-3-ylurea

1-(furan-2-yl)-3-pyrrolidin-3-ylurea (PubChem CID 117235239) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-pyrrolidin-3-ylurea.

Molecular Properties

Compound Name1-(furan-2-yl)-3-pyrrolidin-3-ylurea
PubChem CID117235239
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(furan-2-yl)-3-pyrrolidin-3-ylurea
SMILESO=C(Nc1ccco1)NC1CCNC1
InChIInChI=1S/C9H13N3O2/c13-9(11-7-3-4-10-6-7)12-8-2-1-5-14-8/h1-2,5,7,10H,3-4,6H2,(H2,11,12,13)
InChIKeyMHZRSXVDZLFAFG-UHFFFAOYSA-N
XLogP0.76
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
CID 119452707
1-(furan-2-yl)-3-(2-methylcyclohexyl)urea
CID 108868492
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
CID 79686058
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994
1-(4-nitrophenyl)-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685398
2-(furan-2-yl)-N-piperidin-4-ylacetamide
CID 110484596
1-(2,6-difluorophenyl)-3-[(3R)-piperidin-3-yl]urea;hydrochloride
CID 165430557
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436699

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-pyrrolidin-3-ylurea?
The IUPAC name of 1-(furan-2-yl)-3-pyrrolidin-3-ylurea (CID 117235239) is 1-(furan-2-yl)-3-pyrrolidin-3-ylurea.
What is the SMILES notation for 1-(furan-2-yl)-3-pyrrolidin-3-ylurea?
The canonical SMILES for 1-(furan-2-yl)-3-pyrrolidin-3-ylurea is O=C(Nc1ccco1)NC1CCNC1.
What is the InChIKey of 1-(furan-2-yl)-3-pyrrolidin-3-ylurea?
The InChIKey is MHZRSXVDZLFAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(11-7-3-4-10-6-7)12-8-2-1-5-14-8/h1-2,5,7,10H,3-4,6H2,(H2,11,12,13).
What are the key properties of 1-(furan-2-yl)-3-pyrrolidin-3-ylurea?
1-(furan-2-yl)-3-pyrrolidin-3-ylurea has a molecular weight of 195.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-pyrrolidin-3-ylurea is sourced from PubChem (CID 117235239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).