(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole

C11H15NO — CID 71486083

IUPAC(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)[C@H](C)[C@H](C)N2
InChIInChI=1S/C11H15NO/c1-7-8(2)12-11-5-4-9(13-3)6-10(7)11/h4-8,12H,1-3H3/t7-,8+/m1/s1
InChIKeyNFVOUDOZYBZNOX-SFYZADRCSA-N
MW177.25 g/mol
LogP2.61
Rot. Bonds1

About (2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole

(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole (PubChem CID 71486083) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole
PubChem CID71486083
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)[C@H](C)[C@H](C)N2
InChIInChI=1S/C11H15NO/c1-7-8(2)12-11-5-4-9(13-3)6-10(7)11/h4-8,12H,1-3H3/t7-,8+/m1/s1
InChIKeyNFVOUDOZYBZNOX-SFYZADRCSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 95430074
(3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 170593238
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate
CID 21449392
(2S)-2-amino-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-ol
CID 167214633
5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
CID 143474953
4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 19782497
5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine
CID 86340464
(7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol
CID 84624913
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
(7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol
CID 84636572
7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
CID 84641583
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole?
The IUPAC name of (2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole (CID 71486083) is (2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for (2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole is COc1ccc2c(c1)[C@H](C)[C@H](C)N2.
What is the InChIKey of (2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole?
The InChIKey is NFVOUDOZYBZNOX-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-8(2)12-11-5-4-9(13-3)6-10(7)11/h4-8,12H,1-3H3/t7-,8+/m1/s1.
What are the key properties of (2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole?
(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole has a molecular weight of 177.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 71486083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).