1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea

C15H18N2O3 — CID 113217708

IUPAC1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
SMILESC=CCNC(=O)NCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C15H18N2O3/c1-2-5-16-15(18)17-9-12-11-4-7-19-13(11)8-10-3-6-20-14(10)12/h2,8H,1,3-7,9H2,(H2,16,17,18)
InChIKeyUFVUQECMMIFXDK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.54
Rot. Bonds4

About 1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea

1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea (PubChem CID 113217708) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea.

Molecular Properties

Compound Name1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
PubChem CID113217708
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
SMILESC=CCNC(=O)NCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C15H18N2O3/c1-2-5-16-15(18)17-9-12-11-4-7-19-13(11)8-10-3-6-20-14(10)12/h2,8H,1,3-7,9H2,(H2,16,17,18)
InChIKeyUFVUQECMMIFXDK-UHFFFAOYSA-N
XLogP1.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199376
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217716
1-butan-2-yl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217711
ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate
CID 113095323
1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217861
1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217817
3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113095277
4-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113095281
1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 113217836
1-[(4-methylphenyl)methyl]-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217578
ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 113217766
1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217759

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
The IUPAC name of 1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea (CID 113217708) is 1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea.
What is the SMILES notation for 1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
The canonical SMILES for 1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea is C=CCNC(=O)NCc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of 1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
The InChIKey is UFVUQECMMIFXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-5-16-15(18)17-9-12-11-4-7-19-13(11)8-10-3-6-20-14(10)12/h2,8H,1,3-7,9H2,(H2,16,17,18).
What are the key properties of 1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea has a molecular weight of 274.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea is sourced from PubChem (CID 113217708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).