2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone

C11H14N2O — CID 112712511

IUPAC2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone
SMILESCC1=CC2C(C(=O)CN)=CC=CC2N1
InChIInChI=1S/C11H14N2O/c1-7-5-9-8(11(14)6-12)3-2-4-10(9)13-7/h2-5,9-10,13H,6,12H2,1H3
InChIKeyNFNSTPNFYLSFAB-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.50
Rot. Bonds2

About 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone

2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone (PubChem CID 112712511) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone
PubChem CID112712511
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone
SMILESCC1=CC2C(C(=O)CN)=CC=CC2N1
InChIInChI=1S/C11H14N2O/c1-7-5-9-8(11(14)6-12)3-2-4-10(9)13-7/h2-5,9-10,13H,6,12H2,1H3
InChIKeyNFNSTPNFYLSFAB-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone (CID 112712511) is 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone is CC1=CC2C(C(=O)CN)=CC=CC2N1.
What is the InChIKey of 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone?
The InChIKey is NFNSTPNFYLSFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-5-9-8(11(14)6-12)3-2-4-10(9)13-7/h2-5,9-10,13H,6,12H2,1H3.
What are the key properties of 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone?
2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone has a molecular weight of 190.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone is sourced from PubChem (CID 112712511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).