ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate

C13H17NO3 — CID 46914009

IUPACethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate
SMILESCCOC(=O)CCc1c[nH]c2c1C(=O)CCC2
InChIInChI=1S/C13H17NO3/c1-2-17-12(16)7-6-9-8-14-10-4-3-5-11(15)13(9)10/h8,14H,2-7H2,1H3
InChIKeyWZWCQULTHHUCJV-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.03
Rot. Bonds4

About ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate

ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate (PubChem CID 46914009) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate
PubChem CID46914009
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate
SMILESCCOC(=O)CCc1c[nH]c2c1C(=O)CCC2
InChIInChI=1S/C13H17NO3/c1-2-17-12(16)7-6-9-8-14-10-4-3-5-11(15)13(9)10/h8,14H,2-7H2,1H3
InChIKeyWZWCQULTHHUCJV-UHFFFAOYSA-N
XLogP2.03
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide
CID 22571116
3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one
CID 169438856
ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 58753933
ethyl 2-(3,5-dioxocyclohepten-1-yl)acetate
CID 44632466
ethyl 3-[2-[(Z)-(6-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate
CID 59406604
ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium
CID 59406641
ethyl 3-(6-oxo-2-prop-2-ynoxycyclohexen-1-yl)propanoate
CID 135041758
ethyl 8-(6-oxocyclohexen-1-yl)octanoate
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ethyl 3-[2-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate
CID 46846542
ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]propanoate
CID 49386125
ethyl 3-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate
CID 2749821
ethyl 3-(2-bromo-5-methoxyphenyl)propanoate
CID 15662339

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate?
The IUPAC name of ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate (CID 46914009) is ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate?
The canonical SMILES for ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate is CCOC(=O)CCc1c[nH]c2c1C(=O)CCC2.
What is the InChIKey of ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate?
The InChIKey is WZWCQULTHHUCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-12(16)7-6-9-8-14-10-4-3-5-11(15)13(9)10/h8,14H,2-7H2,1H3.
What are the key properties of ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate?
ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate has a molecular weight of 235.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate is sourced from PubChem (CID 46914009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).