3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole

C13H13NO — CID 114732983

IUPAC3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole
SMILESCc1cccc2cc(C3=CCNC3)oc12
InChIInChI=1S/C13H13NO/c1-9-3-2-4-10-7-12(15-13(9)10)11-5-6-14-8-11/h2-5,7,14H,6,8H2,1H3
InChIKeyNSVIEPNBHXHKTO-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.73
Rot. Bonds1

About 3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole

3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole (PubChem CID 114732983) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole
PubChem CID114732983
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole
SMILESCc1cccc2cc(C3=CCNC3)oc12
InChIInChI=1S/C13H13NO/c1-9-3-2-4-10-7-12(15-13(9)10)11-5-6-14-8-11/h2-5,7,14H,6,8H2,1H3
InChIKeyNSVIEPNBHXHKTO-UHFFFAOYSA-N
XLogP2.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734623
7-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 18797218
2-(7-methyl-1-benzofuran-2-yl)pyridin-4-amine
CID 114731846
3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine
CID 114734145
2-(2-chloroethyl)-7-methyl-1-benzofuran
CID 114732789
3-methyl-4-(7-methyl-1-benzofuran-2-yl)benzoic acid
CID 114731658
N-methyl-1-[4-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732283
7-methyl-1-benzofuran-2-carbaldehyde
CID 10511153
(7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol
CID 114724344
1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone
CID 114736371
N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734639
N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888159

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole (CID 114732983) is 3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole is Cc1cccc2cc(C3=CCNC3)oc12.
What is the InChIKey of 3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole?
The InChIKey is NSVIEPNBHXHKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-3-2-4-10-7-12(15-13(9)10)11-5-6-14-8-11/h2-5,7,14H,6,8H2,1H3.
What are the key properties of 3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole?
3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole has a molecular weight of 199.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 114732983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).