(3aS)-5,7-dimethyl-3aH-indole

C10H11N — CID 129492841

IUPAC(3aS)-5,7-dimethyl-3aH-indole
SMILESCC1=C[C@H]2C=CN=C2C(C)=C1
InChIInChI=1S/C10H11N/c1-7-5-8(2)10-9(6-7)3-4-11-10/h3-6,9H,1-2H3/t9-/m1/s1
InChIKeyYJSIBJSOCMEDFG-SECBINFHSA-N
MW145.20 g/mol
LogP2.48
Rot. Bonds

About (3aS)-5,7-dimethyl-3aH-indole

(3aS)-5,7-dimethyl-3aH-indole (PubChem CID 129492841) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is (3aS)-5,7-dimethyl-3aH-indole.

Molecular Properties

Compound Name(3aS)-5,7-dimethyl-3aH-indole
PubChem CID129492841
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name(3aS)-5,7-dimethyl-3aH-indole
SMILESCC1=C[C@H]2C=CN=C2C(C)=C1
InChIInChI=1S/C10H11N/c1-7-5-8(2)10-9(6-7)3-4-11-10/h3-6,9H,1-2H3/t9-/m1/s1
InChIKeyYJSIBJSOCMEDFG-SECBINFHSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aS)-5,7-dimethyl-3aH-indole?
The IUPAC name of (3aS)-5,7-dimethyl-3aH-indole (CID 129492841) is (3aS)-5,7-dimethyl-3aH-indole.
What is the SMILES notation for (3aS)-5,7-dimethyl-3aH-indole?
The canonical SMILES for (3aS)-5,7-dimethyl-3aH-indole is CC1=C[C@H]2C=CN=C2C(C)=C1.
What is the InChIKey of (3aS)-5,7-dimethyl-3aH-indole?
The InChIKey is YJSIBJSOCMEDFG-SECBINFHSA-N. The full InChI is InChI=1S/C10H11N/c1-7-5-8(2)10-9(6-7)3-4-11-10/h3-6,9H,1-2H3/t9-/m1/s1.
What are the key properties of (3aS)-5,7-dimethyl-3aH-indole?
(3aS)-5,7-dimethyl-3aH-indole has a molecular weight of 145.20 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-5,7-dimethyl-3aH-indole is sourced from PubChem (CID 129492841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).