5-propan-2-yl-3aH-indole

C11H13N — CID 170010459

IUPAC5-propan-2-yl-3aH-indole
SMILESCC(C)C1=CC2C=CN=C2C=C1
InChIInChI=1S/C11H13N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-8,10H,1-2H3
InChIKeyNNORXBLCLKTTCP-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.72
Rot. Bonds1

About 5-propan-2-yl-3aH-indole

5-propan-2-yl-3aH-indole (PubChem CID 170010459) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-propan-2-yl-3aH-indole.

Molecular Properties

Compound Name5-propan-2-yl-3aH-indole
PubChem CID170010459
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5-propan-2-yl-3aH-indole
SMILESCC(C)C1=CC2C=CN=C2C=C1
InChIInChI=1S/C11H13N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-8,10H,1-2H3
InChIKeyNNORXBLCLKTTCP-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3aH-indole?
The IUPAC name of 5-propan-2-yl-3aH-indole (CID 170010459) is 5-propan-2-yl-3aH-indole.
What is the SMILES notation for 5-propan-2-yl-3aH-indole?
The canonical SMILES for 5-propan-2-yl-3aH-indole is CC(C)C1=CC2C=CN=C2C=C1.
What is the InChIKey of 5-propan-2-yl-3aH-indole?
The InChIKey is NNORXBLCLKTTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-8,10H,1-2H3.
What are the key properties of 5-propan-2-yl-3aH-indole?
5-propan-2-yl-3aH-indole has a molecular weight of 159.23 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3aH-indole is sourced from PubChem (CID 170010459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).