1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea

C12H16N2O2 — CID 110874645

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea
SMILESCCCNC(=O)Nc1cccc2c1OCC2
InChIInChI=1S/C12H16N2O2/c1-2-7-13-12(15)14-10-5-3-4-9-6-8-16-11(9)10/h3-5H,2,6-8H2,1H3,(H2,13,14,15)
InChIKeyFZSBCCBJEWYJMG-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.15
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea

1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea (PubChem CID 110874645) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea
PubChem CID110874645
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea
SMILESCCCNC(=O)Nc1cccc2c1OCC2
InChIInChI=1S/C12H16N2O2/c1-2-7-13-12(15)14-10-5-3-4-9-6-8-16-11(9)10/h3-5H,2,6-8H2,1H3,(H2,13,14,15)
InChIKeyFZSBCCBJEWYJMG-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea (CID 110874645) is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea is CCCNC(=O)Nc1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea?
The InChIKey is FZSBCCBJEWYJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-7-13-12(15)14-10-5-3-4-9-6-8-16-11(9)10/h3-5H,2,6-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea?
1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea has a molecular weight of 220.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea is sourced from PubChem (CID 110874645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).