4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole

C13H16N2O — CID 144891847

IUPAC4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole
SMILESCOc1cc2c(c3c(C)c[nH]c13)CCN2C
InChIInChI=1S/C13H16N2O/c1-8-7-14-13-11(16-3)6-10-9(12(8)13)4-5-15(10)2/h6-7,14H,4-5H2,1-3H3
InChIKeyUPZNGLREGQAGRB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.48
Rot. Bonds1

About 4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole

4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole (PubChem CID 144891847) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole.

Molecular Properties

Compound Name4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole
PubChem CID144891847
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole
SMILESCOc1cc2c(c3c(C)c[nH]c13)CCN2C
InChIInChI=1S/C13H16N2O/c1-8-7-14-13-11(16-3)6-10-9(12(8)13)4-5-15(10)2/h6-7,14H,4-5H2,1-3H3
InChIKeyUPZNGLREGQAGRB-UHFFFAOYSA-N
XLogP2.48
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole?
The IUPAC name of 4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole (CID 144891847) is 4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole.
What is the SMILES notation for 4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole?
The canonical SMILES for 4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole is COc1cc2c(c3c(C)c[nH]c13)CCN2C.
What is the InChIKey of 4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole?
The InChIKey is UPZNGLREGQAGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-7-14-13-11(16-3)6-10-9(12(8)13)4-5-15(10)2/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole?
4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole has a molecular weight of 216.28 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole is sourced from PubChem (CID 144891847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).