2,3-dihydro-1H-indole;N-methylformamide;propane

C13H22N2O — CID 170578965

IUPAC2,3-dihydro-1H-indole;N-methylformamide;propane
SMILESCCC.CNC=O.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C3H8.C2H5NO/c1-2-4-8-7(3-1)5-6-9-8;1-3-2;1-3-2-4/h1-4,9H,5-6H2;3H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyZWTYLJHBVNLQIT-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.43
Rot. Bonds1

About 2,3-dihydro-1H-indole;N-methylformamide;propane

2,3-dihydro-1H-indole;N-methylformamide;propane (PubChem CID 170578965) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole;N-methylformamide;propane.

Molecular Properties

Compound Name2,3-dihydro-1H-indole;N-methylformamide;propane
PubChem CID170578965
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2,3-dihydro-1H-indole;N-methylformamide;propane
SMILESCCC.CNC=O.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C3H8.C2H5NO/c1-2-4-8-7(3-1)5-6-9-8;1-3-2;1-3-2-4/h1-4,9H,5-6H2;3H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyZWTYLJHBVNLQIT-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-indole;ethanamine
CID 23296774
2,3-dihydro-1H-indole;hydrobromide
CID 18680303
2,3-dihydro-1H-indole;heptan-4-one
CID 174749146
2,3-dihydro-1H-indole;methyl acetate
CID 160533023
2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
CID 142166123
2,3-dihydro-1H-indole;pyridine
CID 160958359
2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
CID 159567822
2,3-dihydro-1H-indole;N-methylpyridin-3-amine
CID 174844526
1H-azepine;2,3-dihydro-1H-indole
CID 159350025
N-ethylformamide;5-methyl-2,3-dihydro-1H-indole
CID 143510883
5-ethyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one
CID 134786768
propanedioic acid;1,2,3,4-tetrahydroquinoline
CID 66986458

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole;N-methylformamide;propane?
The IUPAC name of 2,3-dihydro-1H-indole;N-methylformamide;propane (CID 170578965) is 2,3-dihydro-1H-indole;N-methylformamide;propane.
What is the SMILES notation for 2,3-dihydro-1H-indole;N-methylformamide;propane?
The canonical SMILES for 2,3-dihydro-1H-indole;N-methylformamide;propane is CCC.CNC=O.c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indole;N-methylformamide;propane?
The InChIKey is ZWTYLJHBVNLQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C3H8.C2H5NO/c1-2-4-8-7(3-1)5-6-9-8;1-3-2;1-3-2-4/h1-4,9H,5-6H2;3H2,1-2H3;2H,1H3,(H,3,4).
What are the key properties of 2,3-dihydro-1H-indole;N-methylformamide;propane?
2,3-dihydro-1H-indole;N-methylformamide;propane has a molecular weight of 222.33 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole;N-methylformamide;propane is sourced from PubChem (CID 170578965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).