4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one

C14H20N2O2 — CID 120561708

IUPAC4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one
SMILESCOc1ccc2c(c1)CCN2C(=O)CCC(C)N
InChIInChI=1S/C14H20N2O2/c1-10(15)3-6-14(17)16-8-7-11-9-12(18-2)4-5-13(11)16/h4-5,9-10H,3,6-8,15H2,1-2H3
InChIKeyLSCRXMTXOBNIMG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.71
Rot. Bonds4

About 4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one

4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one (PubChem CID 120561708) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one
PubChem CID120561708
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one
SMILESCOc1ccc2c(c1)CCN2C(=O)CCC(C)N
InChIInChI=1S/C14H20N2O2/c1-10(15)3-6-14(17)16-8-7-11-9-12(18-2)4-5-13(11)16/h4-5,9-10H,3,6-8,15H2,1-2H3
InChIKeyLSCRXMTXOBNIMG-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 120560186
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
CID 119310085
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119760433
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 120668047
(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 107569298

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one (CID 120561708) is 4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one is COc1ccc2c(c1)CCN2C(=O)CCC(C)N.
What is the InChIKey of 4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one?
The InChIKey is LSCRXMTXOBNIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(15)3-6-14(17)16-8-7-11-9-12(18-2)4-5-13(11)16/h4-5,9-10H,3,6-8,15H2,1-2H3.
What are the key properties of 4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one?
4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one is sourced from PubChem (CID 120561708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).