3-methyl-2H-[1]benzofuro[2,3-c]pyrrole

C11H9NO — CID 130318214

IUPAC3-methyl-2H-[1]benzofuro[2,3-c]pyrrole
SMILESCc1[nH]cc2c1oc1ccccc12
InChIInChI=1S/C11H9NO/c1-7-11-9(6-12-7)8-4-2-3-5-10(8)13-11/h2-6,12H,1H3
InChIKeyAATUEKGVBQOALR-UHFFFAOYSA-N
MW171.20 g/mol
LogP3.22
Rot. Bonds

About 3-methyl-2H-[1]benzofuro[2,3-c]pyrrole

3-methyl-2H-[1]benzofuro[2,3-c]pyrrole (PubChem CID 130318214) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-methyl-2H-[1]benzofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name3-methyl-2H-[1]benzofuro[2,3-c]pyrrole
PubChem CID130318214
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name3-methyl-2H-[1]benzofuro[2,3-c]pyrrole
SMILESCc1[nH]cc2c1oc1ccccc12
InChIInChI=1S/C11H9NO/c1-7-11-9(6-12-7)8-4-2-3-5-10(8)13-11/h2-6,12H,1H3
InChIKeyAATUEKGVBQOALR-UHFFFAOYSA-N
XLogP3.22
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
12H-[1]benzofuro[2,3-a]carbazole;ethane
CID 145125553
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran-4-yl(trimethyl)silane
CID 10752569
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
tributyl(dibenzofuran-4-yl)stannane
CID 10906594
dibenzofuran;ethanol
CID 174821059
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane
CID 144831127

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-[1]benzofuro[2,3-c]pyrrole?
The IUPAC name of 3-methyl-2H-[1]benzofuro[2,3-c]pyrrole (CID 130318214) is 3-methyl-2H-[1]benzofuro[2,3-c]pyrrole.
What is the SMILES notation for 3-methyl-2H-[1]benzofuro[2,3-c]pyrrole?
The canonical SMILES for 3-methyl-2H-[1]benzofuro[2,3-c]pyrrole is Cc1[nH]cc2c1oc1ccccc12.
What is the InChIKey of 3-methyl-2H-[1]benzofuro[2,3-c]pyrrole?
The InChIKey is AATUEKGVBQOALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-7-11-9(6-12-7)8-4-2-3-5-10(8)13-11/h2-6,12H,1H3.
What are the key properties of 3-methyl-2H-[1]benzofuro[2,3-c]pyrrole?
3-methyl-2H-[1]benzofuro[2,3-c]pyrrole has a molecular weight of 171.20 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-[1]benzofuro[2,3-c]pyrrole is sourced from PubChem (CID 130318214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).