N-ethylformamide;5-methyl-2,3-dihydro-1H-indole

C12H18N2O — CID 143510883

IUPACN-ethylformamide;5-methyl-2,3-dihydro-1H-indole
SMILESCCNC=O.Cc1ccc2c(c1)CCN2
InChIInChI=1S/C9H11N.C3H7NO/c1-7-2-3-9-8(6-7)4-5-10-9;1-2-4-3-5/h2-3,6,10H,4-5H2,1H3;3H,2H2,1H3,(H,4,5)
InChIKeyNLTHPGYESFJOOF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.72
Rot. Bonds2

About N-ethylformamide;5-methyl-2,3-dihydro-1H-indole

N-ethylformamide;5-methyl-2,3-dihydro-1H-indole (PubChem CID 143510883) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-ethylformamide;5-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound NameN-ethylformamide;5-methyl-2,3-dihydro-1H-indole
PubChem CID143510883
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-ethylformamide;5-methyl-2,3-dihydro-1H-indole
SMILESCCNC=O.Cc1ccc2c(c1)CCN2
InChIInChI=1S/C9H11N.C3H7NO/c1-7-2-3-9-8(6-7)4-5-10-9;1-2-4-3-5/h2-3,6,10H,4-5H2,1H3;3H,2H2,1H3,(H,4,5)
InChIKeyNLTHPGYESFJOOF-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
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-ethylformamide;5-methyl-2,3-dihydro-1H-indole?
The IUPAC name of N-ethylformamide;5-methyl-2,3-dihydro-1H-indole (CID 143510883) is N-ethylformamide;5-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for N-ethylformamide;5-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for N-ethylformamide;5-methyl-2,3-dihydro-1H-indole is CCNC=O.Cc1ccc2c(c1)CCN2.
What is the InChIKey of N-ethylformamide;5-methyl-2,3-dihydro-1H-indole?
The InChIKey is NLTHPGYESFJOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C3H7NO/c1-7-2-3-9-8(6-7)4-5-10-9;1-2-4-3-5/h2-3,6,10H,4-5H2,1H3;3H,2H2,1H3,(H,4,5).
What are the key properties of N-ethylformamide;5-methyl-2,3-dihydro-1H-indole?
N-ethylformamide;5-methyl-2,3-dihydro-1H-indole has a molecular weight of 206.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylformamide;5-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 143510883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).