(4R)-1,4-dimethyl-3a,4-dihydroindole

C10H13N — CID 70289602

IUPAC(4R)-1,4-dimethyl-3a,4-dihydroindole
SMILESC[C@@H]1C=CC=C2C1C=CN2C
InChIInChI=1S/C10H13N/c1-8-4-3-5-10-9(8)6-7-11(10)2/h3-9H,1-2H3/t8-,9?/m1/s1
InChIKeyLUPVNPNVPVQWJI-VEDVMXKPSA-N
MW147.22 g/mol
LogP2.15
Rot. Bonds

About (4R)-1,4-dimethyl-3a,4-dihydroindole

(4R)-1,4-dimethyl-3a,4-dihydroindole (PubChem CID 70289602) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (4R)-1,4-dimethyl-3a,4-dihydroindole.

Molecular Properties

Compound Name(4R)-1,4-dimethyl-3a,4-dihydroindole
PubChem CID70289602
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(4R)-1,4-dimethyl-3a,4-dihydroindole
SMILESC[C@@H]1C=CC=C2C1C=CN2C
InChIInChI=1S/C10H13N/c1-8-4-3-5-10-9(8)6-7-11(10)2/h3-9H,1-2H3/t8-,9?/m1/s1
InChIKeyLUPVNPNVPVQWJI-VEDVMXKPSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,4-dimethyl-3a,4-dihydroindole?
The IUPAC name of (4R)-1,4-dimethyl-3a,4-dihydroindole (CID 70289602) is (4R)-1,4-dimethyl-3a,4-dihydroindole.
What is the SMILES notation for (4R)-1,4-dimethyl-3a,4-dihydroindole?
The canonical SMILES for (4R)-1,4-dimethyl-3a,4-dihydroindole is C[C@@H]1C=CC=C2C1C=CN2C.
What is the InChIKey of (4R)-1,4-dimethyl-3a,4-dihydroindole?
The InChIKey is LUPVNPNVPVQWJI-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H13N/c1-8-4-3-5-10-9(8)6-7-11(10)2/h3-9H,1-2H3/t8-,9?/m1/s1.
What are the key properties of (4R)-1,4-dimethyl-3a,4-dihydroindole?
(4R)-1,4-dimethyl-3a,4-dihydroindole has a molecular weight of 147.22 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,4-dimethyl-3a,4-dihydroindole is sourced from PubChem (CID 70289602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).