7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole

C17H22N2 — CID 168941693

IUPAC7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
SMILESCCCN1CCC=C(c2c[nH]c3c(C)cccc23)C1
InChIInChI=1S/C17H22N2/c1-3-9-19-10-5-7-14(12-19)16-11-18-17-13(2)6-4-8-15(16)17/h4,6-8,11,18H,3,5,9-10,12H2,1-2H3
InChIKeyAOORFQWIYLDEPF-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.98
Rot. Bonds3

About 7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole

7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole (PubChem CID 168941693) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole.

Molecular Properties

Compound Name7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
PubChem CID168941693
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole
SMILESCCCN1CCC=C(c2c[nH]c3c(C)cccc23)C1
InChIInChI=1S/C17H22N2/c1-3-9-19-10-5-7-14(12-19)16-11-18-17-13(2)6-4-8-15(16)17/h4,6-8,11,18H,3,5,9-10,12H2,1-2H3
InChIKeyAOORFQWIYLDEPF-UHFFFAOYSA-N
XLogP3.98
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole?
The IUPAC name of 7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole (CID 168941693) is 7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole.
What is the SMILES notation for 7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole?
The canonical SMILES for 7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole is CCCN1CCC=C(c2c[nH]c3c(C)cccc23)C1.
What is the InChIKey of 7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole?
The InChIKey is AOORFQWIYLDEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-9-19-10-5-7-14(12-19)16-11-18-17-13(2)6-4-8-15(16)17/h4,6-8,11,18H,3,5,9-10,12H2,1-2H3.
What are the key properties of 7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole?
7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole has a molecular weight of 254.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole is sourced from PubChem (CID 168941693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).