2,3-dihydro-1-benzofuran-3-ylurea

C9H10N2O2 — CID 62065035

IUPAC2,3-dihydro-1-benzofuran-3-ylurea
SMILESNC(=O)NC1COc2ccccc21
InChIInChI=1S/C9H10N2O2/c10-9(12)11-7-5-13-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H3,10,11,12)
InChIKeyBEONXGQURYTRDI-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.79
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-3-ylurea

2,3-dihydro-1-benzofuran-3-ylurea (PubChem CID 62065035) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-ylurea.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-3-ylurea
PubChem CID62065035
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2,3-dihydro-1-benzofuran-3-ylurea
SMILESNC(=O)NC1COc2ccccc21
InChIInChI=1S/C9H10N2O2/c10-9(12)11-7-5-13-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H3,10,11,12)
InChIKeyBEONXGQURYTRDI-UHFFFAOYSA-N
XLogP0.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503
3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea
CID 115604588
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide
CID 91653348
(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119759945
2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide
CID 62070749
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
N-(2,3-dihydro-1-benzofuran-3-yl)-3-piperidin-1-ylpropanamide
CID 91785327
4-(azepan-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)-4-oxobutanamide
CID 135110920
2-(4-aminopiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 79328345
N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide
CID 103892306

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-ylurea?
The IUPAC name of 2,3-dihydro-1-benzofuran-3-ylurea (CID 62065035) is 2,3-dihydro-1-benzofuran-3-ylurea.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-ylurea?
The canonical SMILES for 2,3-dihydro-1-benzofuran-3-ylurea is NC(=O)NC1COc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzofuran-3-ylurea?
The InChIKey is BEONXGQURYTRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9(12)11-7-5-13-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H3,10,11,12).
What are the key properties of 2,3-dihydro-1-benzofuran-3-ylurea?
2,3-dihydro-1-benzofuran-3-ylurea has a molecular weight of 178.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-3-ylurea is sourced from PubChem (CID 62065035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).