(2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate

C11H11NO4 — CID 86138313

IUPAC(2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate
SMILESCC1(C)Oc2c(OC(N)=O)cccc2C1=O
InChIInChI=1S/C11H11NO4/c1-11(2)9(13)6-4-3-5-7(8(6)16-11)15-10(12)14/h3-5H,1-2H3,(H2,12,14)
InChIKeyRTVGMIZMMVFDAV-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.50
Rot. Bonds1

About (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate

(2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate (PubChem CID 86138313) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate.

Molecular Properties

Compound Name(2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate
PubChem CID86138313
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate
SMILESCC1(C)Oc2c(OC(N)=O)cccc2C1=O
InChIInChI=1S/C11H11NO4/c1-11(2)9(13)6-4-3-5-7(8(6)16-11)15-10(12)14/h3-5H,1-2H3,(H2,12,14)
InChIKeyRTVGMIZMMVFDAV-UHFFFAOYSA-N
XLogP1.50
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-2,2-dimethyl-1-benzofuran-3-one
CID 14126647
methyl 7-methoxy-3-oxo-2-propan-2-yl-1-benzofuran-2-carboxylate
CID 18351592
(2-trimethylsilylphenyl) carbamate
CID 68854003
(2-hydroxy-3-methoxyphenyl) carbamate
CID 68617707
(2,3-difluorophenyl) carbamate
CID 154511519
(2-formyl-3-hydroxyphenyl) carbamate
CID 175040502
(2,2-dimethyl-1,3-benzodioxol-4-yl) acetate
CID 91551144
[2-(dimethylamino)phenyl] carbamate
CID 163610116
(3-amino-2-tert-butylphenyl) carbamate
CID 67424398
[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate
CID 174464729
(3-bromo-2-tert-butylphenyl) carbamate
CID 153406266
4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one
CID 143197620

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate?
The IUPAC name of (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate (CID 86138313) is (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate.
What is the SMILES notation for (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate?
The canonical SMILES for (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate is CC1(C)Oc2c(OC(N)=O)cccc2C1=O.
What is the InChIKey of (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate?
The InChIKey is RTVGMIZMMVFDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-11(2)9(13)6-4-3-5-7(8(6)16-11)15-10(12)14/h3-5H,1-2H3,(H2,12,14).
What are the key properties of (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate?
(2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate has a molecular weight of 221.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate is sourced from PubChem (CID 86138313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).