1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea

C10H10N2O3 — CID 91082728

IUPAC1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea
SMILESCNC(=O)Nc1oc2ccccc2c1O
InChIInChI=1S/C10H10N2O3/c1-11-10(14)12-9-8(13)6-4-2-3-5-7(6)15-9/h2-5,13H,1H3,(H2,11,12,14)
InChIKeyZBSRCBBBDYJGRT-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.89
Rot. Bonds1

About 1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea

1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea (PubChem CID 91082728) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea
PubChem CID91082728
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea
SMILESCNC(=O)Nc1oc2ccccc2c1O
InChIInChI=1S/C10H10N2O3/c1-11-10(14)12-9-8(13)6-4-2-3-5-7(6)15-9/h2-5,13H,1H3,(H2,11,12,14)
InChIKeyZBSRCBBBDYJGRT-UHFFFAOYSA-N
XLogP1.89
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate
CID 122490038
1-benzofuran-2,3-diol
CID 22994886
4-hydroxy-3-methylchromen-2-one
CID 54687016
2-butyl-N-methyl-1-benzofuran-3-carboxamide
CID 141114520
2-[2-(methylamino)ethyl]-1-benzofuran-3-ol
CID 112545647
1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea
CID 143140690
(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone
CID 10164183
3-ethylsulfanyl-4-hydroxychromen-2-one
CID 86081050
2-nitroso-1-benzofuran-3-ol
CID 595970
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
6-tert-butyl-2-(methylcarbamoylamino)-4-oxochromene-3-carboxamide
CID 14151544
(3-prop-2-enyl-1-benzofuran-2-yl)carbamic acid
CID 70452250

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea?
The IUPAC name of 1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea (CID 91082728) is 1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea.
What is the SMILES notation for 1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea?
The canonical SMILES for 1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea is CNC(=O)Nc1oc2ccccc2c1O.
What is the InChIKey of 1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea?
The InChIKey is ZBSRCBBBDYJGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-11-10(14)12-9-8(13)6-4-2-3-5-7(6)15-9/h2-5,13H,1H3,(H2,11,12,14).
What are the key properties of 1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea?
1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea has a molecular weight of 206.20 g/mol, XLogP of 1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea is sourced from PubChem (CID 91082728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).