N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide

C10H14N2O — CID 89073970

IUPACN-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide
SMILESCN1CCC2=CC(NC=O)=CCC21
InChIInChI=1S/C10H14N2O/c1-12-5-4-8-6-9(11-7-13)2-3-10(8)12/h2,6-7,10H,3-5H2,1H3,(H,11,13)
InChIKeyJKTVEEJSZCAPHU-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.65
Rot. Bonds2

About N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide

N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide (PubChem CID 89073970) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide.

Molecular Properties

Compound NameN-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide
PubChem CID89073970
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide
SMILESCN1CCC2=CC(NC=O)=CCC21
InChIInChI=1S/C10H14N2O/c1-12-5-4-8-6-9(11-7-13)2-3-10(8)12/h2,6-7,10H,3-5H2,1H3,(H,11,13)
InChIKeyJKTVEEJSZCAPHU-UHFFFAOYSA-N
XLogP0.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide?
The IUPAC name of N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide (CID 89073970) is N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide.
What is the SMILES notation for N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide?
The canonical SMILES for N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide is CN1CCC2=CC(NC=O)=CCC21.
What is the InChIKey of N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide?
The InChIKey is JKTVEEJSZCAPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-5-4-8-6-9(11-7-13)2-3-10(8)12/h2,6-7,10H,3-5H2,1H3,(H,11,13).
What are the key properties of N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide?
N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide has a molecular weight of 178.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3,7,7a-tetrahydroindol-5-yl)formamide is sourced from PubChem (CID 89073970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).