carbamic acid;2,3-dihydro-1,4-benzodioxine

C9H11NO4 — CID 67613608

IUPACcarbamic acid;2,3-dihydro-1,4-benzodioxine
SMILESNC(=O)O.c1ccc2c(c1)OCCO2
InChIInChI=1S/C8H8O2.CH3NO2/c1-2-4-8-7(3-1)9-5-6-10-8;2-1(3)4/h1-4H,5-6H2;2H2,(H,3,4)
InChIKeyBJUPKWZTXRXARN-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.08
Rot. Bonds

About carbamic acid;2,3-dihydro-1,4-benzodioxine

carbamic acid;2,3-dihydro-1,4-benzodioxine (PubChem CID 67613608) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is carbamic acid;2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Namecarbamic acid;2,3-dihydro-1,4-benzodioxine
PubChem CID67613608
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namecarbamic acid;2,3-dihydro-1,4-benzodioxine
SMILESNC(=O)O.c1ccc2c(c1)OCCO2
InChIInChI=1S/C8H8O2.CH3NO2/c1-2-4-8-7(3-1)9-5-6-10-8;2-1(3)4/h1-4H,5-6H2;2H2,(H,3,4)
InChIKeyBJUPKWZTXRXARN-UHFFFAOYSA-N
XLogP1.08
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethanethioamide;2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 71405189
2,3,5,6-tetrahydro-1,4,7-benzotrioxonine
CID 585925
2,5,8,11,14,17,20,23,26,29,36,39,42,45,48,51,54,57,60,63-icosaoxatricyclo[62.4.0.030,35]octahexaconta-1(68),30,32,34,64,66-hexaene
CID 18784255
2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.015,20]octatriaconta-1(38),15,17,19,34,36-hexaene;2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
CID 161330562
2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene
CID 585932
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 139075381
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
CID 3486729
2,3-dihydro-1,4-benzodioxine;piperazine
CID 68694467
molecular iodine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
CID 139040495
benzene;3,4-dihydro-2H-1,5-benzodioxepine;ethane
CID 159794832
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
(6Z)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),6,18,20-tetraene
CID 163774799

Frequently Asked Questions

What is the IUPAC name of carbamic acid;2,3-dihydro-1,4-benzodioxine?
The IUPAC name of carbamic acid;2,3-dihydro-1,4-benzodioxine (CID 67613608) is carbamic acid;2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for carbamic acid;2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for carbamic acid;2,3-dihydro-1,4-benzodioxine is NC(=O)O.c1ccc2c(c1)OCCO2.
What is the InChIKey of carbamic acid;2,3-dihydro-1,4-benzodioxine?
The InChIKey is BJUPKWZTXRXARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.CH3NO2/c1-2-4-8-7(3-1)9-5-6-10-8;2-1(3)4/h1-4H,5-6H2;2H2,(H,3,4).
What are the key properties of carbamic acid;2,3-dihydro-1,4-benzodioxine?
carbamic acid;2,3-dihydro-1,4-benzodioxine has a molecular weight of 197.19 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 67613608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).