1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole

C13H13NO — CID 158099360

IUPAC1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
SMILESCc1c2oc3ccccc3c2c(C)n1C
InChIInChI=1S/C13H13NO/c1-8-12-10-6-4-5-7-11(10)15-13(12)9(2)14(8)3/h4-7H,1-3H3
InChIKeyPEOUZUZCFKCRHC-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.54
Rot. Bonds

About 1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole

1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole (PubChem CID 158099360) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
PubChem CID158099360
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
SMILESCc1c2oc3ccccc3c2c(C)n1C
InChIInChI=1S/C13H13NO/c1-8-12-10-6-4-5-7-11(10)15-13(12)9(2)14(8)3/h4-7H,1-3H3
InChIKeyPEOUZUZCFKCRHC-UHFFFAOYSA-N
XLogP3.54
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
2,3-dimethyl-[1]benzofuro[2,3-b]pyrrol-1-amine
CID 130322183
1,2-dimethyl-[1]benzofuro[3,2-b]pyrrol-3-amine
CID 130322219
1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole
CID 157483251
2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
CID 102369758
1,4-dimethyl-3-propan-2-yldibenzofuran
CID 144782637
1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
CID 158308233
11-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene
CID 144743872
12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole
CID 169027952
3-methyldibenzofuran-1,4-diamine
CID 68822096
6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium
CID 12502024

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole?
The IUPAC name of 1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole (CID 158099360) is 1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole.
What is the SMILES notation for 1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole?
The canonical SMILES for 1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole is Cc1c2oc3ccccc3c2c(C)n1C.
What is the InChIKey of 1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole?
The InChIKey is PEOUZUZCFKCRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-8-12-10-6-4-5-7-11(10)15-13(12)9(2)14(8)3/h4-7H,1-3H3.
What are the key properties of 1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole?
1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole has a molecular weight of 199.25 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole is sourced from PubChem (CID 158099360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).