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

C12H17NO — CID 91509436

IUPAC5-methoxy-2-propyl-3a,7a-dihydro-3H-indole
SMILESCCCC1=NC2C=CC(OC)=CC2C1
InChIInChI=1S/C12H17NO/c1-3-4-10-7-9-8-11(14-2)5-6-12(9)13-10/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyWBJGDLZUMRSZPJ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.72
Rot. Bonds3

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

5-methoxy-2-propyl-3a,7a-dihydro-3H-indole (PubChem CID 91509436) 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-3H-indole.

Molecular Properties

Compound Name5-methoxy-2-propyl-3a,7a-dihydro-3H-indole
PubChem CID91509436
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-methoxy-2-propyl-3a,7a-dihydro-3H-indole
SMILESCCCC1=NC2C=CC(OC)=CC2C1
InChIInChI=1S/C12H17NO/c1-3-4-10-7-9-8-11(14-2)5-6-12(9)13-10/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyWBJGDLZUMRSZPJ-UHFFFAOYSA-N
XLogP2.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-propyl-3a,7a-dihydro-3H-indole?
The IUPAC name of 5-methoxy-2-propyl-3a,7a-dihydro-3H-indole (CID 91509436) is 5-methoxy-2-propyl-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 5-methoxy-2-propyl-3a,7a-dihydro-3H-indole?
The canonical SMILES for 5-methoxy-2-propyl-3a,7a-dihydro-3H-indole is CCCC1=NC2C=CC(OC)=CC2C1.
What is the InChIKey of 5-methoxy-2-propyl-3a,7a-dihydro-3H-indole?
The InChIKey is WBJGDLZUMRSZPJ-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/h5-6,8-9,12H,3-4,7H2,1-2H3.
What are the key properties of 5-methoxy-2-propyl-3a,7a-dihydro-3H-indole?
5-methoxy-2-propyl-3a,7a-dihydro-3H-indole has a molecular weight of 191.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-propyl-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 91509436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).