ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate

C12H15NO4 — CID 110778029

IUPACethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate
SMILESCCOC(=O)Nc1cc2c(cc1C)OCCO2
InChIInChI=1S/C12H15NO4/c1-3-15-12(14)13-9-7-11-10(6-8(9)2)16-4-5-17-11/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyRISBGJFUDHDYHH-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.33
Rot. Bonds2

About ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate

ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate (PubChem CID 110778029) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate
PubChem CID110778029
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate
SMILESCCOC(=O)Nc1cc2c(cc1C)OCCO2
InChIInChI=1S/C12H15NO4/c1-3-15-12(14)13-9-7-11-10(6-8(9)2)16-4-5-17-11/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyRISBGJFUDHDYHH-UHFFFAOYSA-N
XLogP2.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 110778000
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl bromide
CID 115193287
methyl 2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoacetate
CID 115142184
1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 115168904
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
ethyl N-(6-pyrrolidin-1-yl-1,3-benzodioxol-5-yl)carbamate
CID 168513665
ethyl N-[6-[(2-cyanoacetyl)amino]-1,3-benzodioxol-5-yl]carbamate
CID 168521958
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 74248536
2-amino-4-(ethoxycarbonylamino)-5-methylbenzenesulfonic acid
CID 21407680
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide
CID 110778020

Frequently Asked Questions

What is the IUPAC name of ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate?
The IUPAC name of ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate (CID 110778029) is ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate.
What is the SMILES notation for ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate?
The canonical SMILES for ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate is CCOC(=O)Nc1cc2c(cc1C)OCCO2.
What is the InChIKey of ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate?
The InChIKey is RISBGJFUDHDYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-15-12(14)13-9-7-11-10(6-8(9)2)16-4-5-17-11/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate?
ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate has a molecular weight of 237.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate is sourced from PubChem (CID 110778029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).