N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide

C10H14N2O — CID 91524988

IUPACN-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide
SMILESCNC(=O)N1CC=C2C=CCCC21
InChIInChI=1S/C10H14N2O/c1-11-10(13)12-7-6-8-4-2-3-5-9(8)12/h2,4,6,9H,3,5,7H2,1H3,(H,11,13)
InChIKeyDVPOUBQKTNISHI-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.29
Rot. Bonds

About N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide

N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide (PubChem CID 91524988) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide
PubChem CID91524988
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide
SMILESCNC(=O)N1CC=C2C=CCCC21
InChIInChI=1S/C10H14N2O/c1-11-10(13)12-7-6-8-4-2-3-5-9(8)12/h2,4,6,9H,3,5,7H2,1H3,(H,11,13)
InChIKeyDVPOUBQKTNISHI-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide?
The IUPAC name of N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide (CID 91524988) is N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide.
What is the SMILES notation for N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide?
The canonical SMILES for N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide is CNC(=O)N1CC=C2C=CCCC21.
What is the InChIKey of N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide?
The InChIKey is DVPOUBQKTNISHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-11-10(13)12-7-6-8-4-2-3-5-9(8)12/h2,4,6,9H,3,5,7H2,1H3,(H,11,13).
What are the key properties of N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide?
N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide has a molecular weight of 178.24 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,6,7,7a-tetrahydroindole-1-carboxamide is sourced from PubChem (CID 91524988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).