(5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate

C11H13NO4 — CID 23849844

IUPAC(5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate
SMILESCc1cccc2c1OC(COC(N)=O)CO2
InChIInChI=1S/C11H13NO4/c1-7-3-2-4-9-10(7)16-8(5-14-9)6-15-11(12)13/h2-4,8H,5-6H2,1H3,(H2,12,13)
InChIKeyFCGLZNWZOBLPFH-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.23
Rot. Bonds2

About (5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate

(5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate (PubChem CID 23849844) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate.

Molecular Properties

Compound Name(5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate
PubChem CID23849844
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate
SMILESCc1cccc2c1OC(COC(N)=O)CO2
InChIInChI=1S/C11H13NO4/c1-7-3-2-4-9-10(7)16-8(5-14-9)6-15-11(12)13/h2-4,8H,5-6H2,1H3,(H2,12,13)
InChIKeyFCGLZNWZOBLPFH-UHFFFAOYSA-N
XLogP1.23
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
CID 3744758
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzoate
CID 2318276
(7,12-dioxo-2,3-dihydronaphtho[2,3-h][1,4]benzodioxin-2-yl)methyl acetate
CID 71556786
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 2,6-difluorobenzoate
CID 2315526
(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
CID 134174574
N-[2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]ethyl]adamantane-1-carboxamide;hydrochloride
CID 67644109
ethyl 2-bromo-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)but-2-enoate
CID 141377098
(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
CID 59016595
(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 21221000
(5-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl methanesulfonate
CID 146472626
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 59016592
benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 68778174

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate?
The IUPAC name of (5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate (CID 23849844) is (5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate.
What is the SMILES notation for (5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate?
The canonical SMILES for (5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate is Cc1cccc2c1OC(COC(N)=O)CO2.
What is the InChIKey of (5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate?
The InChIKey is FCGLZNWZOBLPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7-3-2-4-9-10(7)16-8(5-14-9)6-15-11(12)13/h2-4,8H,5-6H2,1H3,(H2,12,13).
What are the key properties of (5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate?
(5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate has a molecular weight of 223.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate is sourced from PubChem (CID 23849844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).