(2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide

C13H20N2O2 — CID 71659510

IUPAC(2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide
SMILESCC1=C2C[C@H](C)N(C(=O)N(C)C)[C@H]2CCC1=O
InChIInChI=1S/C13H20N2O2/c1-8-7-10-9(2)12(16)6-5-11(10)15(8)13(17)14(3)4/h8,11H,5-7H2,1-4H3/t8-,11-/m0/s1
InChIKeyNJUMDIDNRIEEOW-KWQFWETISA-N
MW236.31 g/mol
LogP1.81
Rot. Bonds

About (2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide

(2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide (PubChem CID 71659510) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide.

Molecular Properties

Compound Name(2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide
PubChem CID71659510
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide
SMILESCC1=C2C[C@H](C)N(C(=O)N(C)C)[C@H]2CCC1=O
InChIInChI=1S/C13H20N2O2/c1-8-7-10-9(2)12(16)6-5-11(10)15(8)13(17)14(3)4/h8,11H,5-7H2,1-4H3/t8-,11-/m0/s1
InChIKeyNJUMDIDNRIEEOW-KWQFWETISA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
The IUPAC name of (2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide (CID 71659510) is (2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide.
What is the SMILES notation for (2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
The canonical SMILES for (2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide is CC1=C2C[C@H](C)N(C(=O)N(C)C)[C@H]2CCC1=O.
What is the InChIKey of (2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
The InChIKey is NJUMDIDNRIEEOW-KWQFWETISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-7-10-9(2)12(16)6-5-11(10)15(8)13(17)14(3)4/h8,11H,5-7H2,1-4H3/t8-,11-/m0/s1.
What are the key properties of (2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
(2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7aS)-N,N,2,4-tetramethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide is sourced from PubChem (CID 71659510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).