5-methoxy-2-propyl-3a,7a-dihydro-1H-indole

C12H17NO — CID 20708620

IUPAC5-methoxy-2-propyl-3a,7a-dihydro-1H-indole
SMILESCCCC1=CC2C=C(OC)C=CC2N1
InChIInChI=1S/C12H17NO/c1-3-4-10-7-9-8-11(14-2)5-6-12(9)13-10/h5-9,12-13H,3-4H2,1-2H3
InChIKeyZNIPNYKPNZHWPM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.36
Rot. Bonds3

About 5-methoxy-2-propyl-3a,7a-dihydro-1H-indole

5-methoxy-2-propyl-3a,7a-dihydro-1H-indole (PubChem CID 20708620) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-methoxy-2-propyl-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-propyl-3a,7a-dihydro-1H-indole
PubChem CID20708620
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-methoxy-2-propyl-3a,7a-dihydro-1H-indole
SMILESCCCC1=CC2C=C(OC)C=CC2N1
InChIInChI=1S/C12H17NO/c1-3-4-10-7-9-8-11(14-2)5-6-12(9)13-10/h5-9,12-13H,3-4H2,1-2H3
InChIKeyZNIPNYKPNZHWPM-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-propyl-3a,7a-dihydro-1H-indole?
The IUPAC name of 5-methoxy-2-propyl-3a,7a-dihydro-1H-indole (CID 20708620) is 5-methoxy-2-propyl-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 5-methoxy-2-propyl-3a,7a-dihydro-1H-indole?
The canonical SMILES for 5-methoxy-2-propyl-3a,7a-dihydro-1H-indole is CCCC1=CC2C=C(OC)C=CC2N1.
What is the InChIKey of 5-methoxy-2-propyl-3a,7a-dihydro-1H-indole?
The InChIKey is ZNIPNYKPNZHWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-10-7-9-8-11(14-2)5-6-12(9)13-10/h5-9,12-13H,3-4H2,1-2H3.
What are the key properties of 5-methoxy-2-propyl-3a,7a-dihydro-1H-indole?
5-methoxy-2-propyl-3a,7a-dihydro-1H-indole has a molecular weight of 191.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-propyl-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 20708620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).