1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone

C14H16N2O — CID 78912909

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C14H16N2O/c1-3-8-15-10-14(17)16-11(2)9-12-6-4-5-7-13(12)16/h1,4-7,11,15H,8-10H2,2H3
InChIKeyUNMKWLWFCNPHEO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.19
Rot. Bonds3

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone (PubChem CID 78912909) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone
PubChem CID78912909
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C14H16N2O/c1-3-8-15-10-14(17)16-11(2)9-12-6-4-5-7-13(12)16/h1,4-7,11,15H,8-10H2,2H3
InChIKeyUNMKWLWFCNPHEO-UHFFFAOYSA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone
CID 108999183
2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109008215
2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2098844
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 110698086
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8598292
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(2-acetylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103764
2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099236
4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001078
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone
CID 95347671
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109002750

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone (CID 78912909) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone?
The InChIKey is UNMKWLWFCNPHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-8-15-10-14(17)16-11(2)9-12-6-4-5-7-13(12)16/h1,4-7,11,15H,8-10H2,2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone has a molecular weight of 228.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone is sourced from PubChem (CID 78912909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).