1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one

C12H16N2O — CID 82506730

IUPAC1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
SMILESCN1CCc2cc(CC(=O)CN)ccc21
InChIInChI=1S/C12H16N2O/c1-14-5-4-10-6-9(2-3-12(10)14)7-11(15)8-13/h2-3,6H,4-5,7-8,13H2,1H3
InChIKeyLPDDNBUHAAXTFI-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.75
Rot. Bonds3

About 1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one

1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one (PubChem CID 82506730) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
PubChem CID82506730
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
SMILESCN1CCc2cc(CC(=O)CN)ccc21
InChIInChI=1S/C12H16N2O/c1-14-5-4-10-6-9(2-3-12(10)14)7-11(15)8-13/h2-3,6H,4-5,7-8,13H2,1H3
InChIKeyLPDDNBUHAAXTFI-UHFFFAOYSA-N
XLogP0.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate
CID 142945145
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide
CID 62081534
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 116997085
2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
CID 39226206
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide
CID 62097018
(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide
CID 110482520

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one?
The IUPAC name of 1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one (CID 82506730) is 1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one.
What is the SMILES notation for 1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one?
The canonical SMILES for 1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one is CN1CCc2cc(CC(=O)CN)ccc21.
What is the InChIKey of 1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one?
The InChIKey is LPDDNBUHAAXTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-5-4-10-6-9(2-3-12(10)14)7-11(15)8-13/h2-3,6H,4-5,7-8,13H2,1H3.
What are the key properties of 1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one?
1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one has a molecular weight of 204.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one is sourced from PubChem (CID 82506730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).