N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide

C12H18N2O2 — CID 102497512

IUPACN,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide
SMILESCC1=C2CCN(C(=O)N(C)C)C2CCC1=O
InChIInChI=1S/C12H18N2O2/c1-8-9-6-7-14(12(16)13(2)3)10(9)4-5-11(8)15/h10H,4-7H2,1-3H3
InChIKeyNCEXNJSTXXFUBE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.42
Rot. Bonds

About N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide

N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide (PubChem CID 102497512) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide
PubChem CID102497512
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide
SMILESCC1=C2CCN(C(=O)N(C)C)C2CCC1=O
InChIInChI=1S/C12H18N2O2/c1-8-9-6-7-14(12(16)13(2)3)10(9)4-5-11(8)15/h10H,4-7H2,1-3H3
InChIKeyNCEXNJSTXXFUBE-UHFFFAOYSA-N
XLogP1.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
The IUPAC name of N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide (CID 102497512) is N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
The canonical SMILES for N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide is CC1=C2CCN(C(=O)N(C)C)C2CCC1=O.
What is the InChIKey of N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
The InChIKey is NCEXNJSTXXFUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-9-6-7-14(12(16)13(2)3)10(9)4-5-11(8)15/h10H,4-7H2,1-3H3.
What are the key properties of N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide is sourced from PubChem (CID 102497512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).