2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole

C11H13N — CID 123184501

IUPAC2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole
SMILESC=CC1=NC2C=CC=CC2C1C
InChIInChI=1S/C11H13N/c1-3-10-8(2)9-6-4-5-7-11(9)12-10/h3-9,11H,1H2,2H3
InChIKeyWNMXUNOFAIHQHS-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.37
Rot. Bonds1

About 2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole

2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole (PubChem CID 123184501) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole
PubChem CID123184501
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole
SMILESC=CC1=NC2C=CC=CC2C1C
InChIInChI=1S/C11H13N/c1-3-10-8(2)9-6-4-5-7-11(9)12-10/h3-9,11H,1H2,2H3
InChIKeyWNMXUNOFAIHQHS-UHFFFAOYSA-N
XLogP2.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole?
The IUPAC name of 2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole (CID 123184501) is 2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole?
The canonical SMILES for 2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole is C=CC1=NC2C=CC=CC2C1C.
What is the InChIKey of 2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole?
The InChIKey is WNMXUNOFAIHQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-10-8(2)9-6-4-5-7-11(9)12-10/h3-9,11H,1H2,2H3.
What are the key properties of 2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole?
2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole has a molecular weight of 159.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methyl-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 123184501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).