1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea

C11H14N2O3 — CID 115168904

IUPAC1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
SMILESCNC(=O)Nc1cc2c(cc1C)OCCO2
InChIInChI=1S/C11H14N2O3/c1-7-5-9-10(16-4-3-15-9)6-8(7)13-11(14)12-2/h5-6H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyYEJRATUSVWHJRD-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.52
Rot. Bonds1

About 1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea

1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea (PubChem CID 115168904) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
PubChem CID115168904
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
SMILESCNC(=O)Nc1cc2c(cc1C)OCCO2
InChIInChI=1S/C11H14N2O3/c1-7-5-9-10(16-4-3-15-9)6-8(7)13-11(14)12-2/h5-6H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyYEJRATUSVWHJRD-UHFFFAOYSA-N
XLogP1.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl bromide
CID 115193287
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoacetic acid
CID 82496946
2,2-dimethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110777998
2-ethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 110778000
methyl 2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoacetate
CID 115142184
ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate
CID 110778029
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
2-methyl-2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propanoic acid
CID 115127775
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 74231193
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 74248536
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
CID 118769080
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 115164154

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea?
The IUPAC name of 1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea (CID 115168904) is 1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea.
What is the SMILES notation for 1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea?
The canonical SMILES for 1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea is CNC(=O)Nc1cc2c(cc1C)OCCO2.
What is the InChIKey of 1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea?
The InChIKey is YEJRATUSVWHJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-5-9-10(16-4-3-15-9)6-8(7)13-11(14)12-2/h5-6H,3-4H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea?
1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea has a molecular weight of 222.24 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea is sourced from PubChem (CID 115168904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).