(2,3-dimethyl-1-benzofuran-7-yl)carbamic acid

C11H11NO3 — CID 174281750

IUPAC(2,3-dimethyl-1-benzofuran-7-yl)carbamic acid
SMILESCc1oc2c(NC(=O)O)cccc2c1C
InChIInChI=1S/C11H11NO3/c1-6-7(2)15-10-8(6)4-3-5-9(10)12-11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyJMPRXCCONWGWCD-UHFFFAOYSA-N
MW205.21 g/mol
LogP3.14
Rot. Bonds1

About (2,3-dimethyl-1-benzofuran-7-yl)carbamic acid

(2,3-dimethyl-1-benzofuran-7-yl)carbamic acid (PubChem CID 174281750) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2,3-dimethyl-1-benzofuran-7-yl)carbamic acid.

Molecular Properties

Compound Name(2,3-dimethyl-1-benzofuran-7-yl)carbamic acid
PubChem CID174281750
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2,3-dimethyl-1-benzofuran-7-yl)carbamic acid
SMILESCc1oc2c(NC(=O)O)cccc2c1C
InChIInChI=1S/C11H11NO3/c1-6-7(2)15-10-8(6)4-3-5-9(10)12-11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyJMPRXCCONWGWCD-UHFFFAOYSA-N
XLogP3.14
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2,3-dimethyl-1-benzofuran-7-yl)carbamic acid 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

2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70200090
2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70201589
N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide
CID 70200430
N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide
CID 70200005
3-(2,3-dimethyl-1-benzofuran-7-yl)pentanedioic acid
CID 23468815
(2,3-dimethyl-1-benzofuran-7-yl)boronic acid
CID 123918946
N-(2-ethyl-3-methyl-1-benzofuran-7-yl)-4-methylsulfonylpiperazine-1-carboxamide
CID 72861764
N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide
CID 139721678
2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide
CID 91296883
N-dibenzofuran-4-ylpropanamide
CID 138533625
(2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide
CID 95871007
N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide
CID 56896506

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1-benzofuran-7-yl)carbamic acid?
The IUPAC name of (2,3-dimethyl-1-benzofuran-7-yl)carbamic acid (CID 174281750) is (2,3-dimethyl-1-benzofuran-7-yl)carbamic acid.
What is the SMILES notation for (2,3-dimethyl-1-benzofuran-7-yl)carbamic acid?
The canonical SMILES for (2,3-dimethyl-1-benzofuran-7-yl)carbamic acid is Cc1oc2c(NC(=O)O)cccc2c1C.
What is the InChIKey of (2,3-dimethyl-1-benzofuran-7-yl)carbamic acid?
The InChIKey is JMPRXCCONWGWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-7(2)15-10-8(6)4-3-5-9(10)12-11(13)14/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of (2,3-dimethyl-1-benzofuran-7-yl)carbamic acid?
(2,3-dimethyl-1-benzofuran-7-yl)carbamic acid has a molecular weight of 205.21 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1-benzofuran-7-yl)carbamic acid is sourced from PubChem (CID 174281750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).