ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate

C15H25NO3 — CID 103484567

IUPACethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCC2CCCCC21
InChIInChI=1S/C15H25NO3/c1-2-19-15(18)8-7-13(17)11-16-10-9-12-5-3-4-6-14(12)16/h12,14H,2-11H2,1H3
InChIKeyWGJJCRUGJYEXJN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.16
Rot. Bonds6

About ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate

ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate (PubChem CID 103484567) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate
PubChem CID103484567
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCC2CCCCC21
InChIInChI=1S/C15H25NO3/c1-2-19-15(18)8-7-13(17)11-16-10-9-12-5-3-4-6-14(12)16/h12,14H,2-11H2,1H3
InChIKeyWGJJCRUGJYEXJN-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate with MolForge

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Related Compounds

ethyl 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanoate
CID 78989273
ethyl 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)prop-2-enoate
CID 82750632
ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate
CID 103484289
ethyl 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-aminopropanoate
CID 82749801
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
CID 107507157
ethyl 2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]acetate
CID 124670169
ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate
CID 142887081
ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate
CID 103484354
ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate
CID 103484200
methyl 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)butanoate
CID 78967455
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 82752898
propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate
CID 61068973

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate?
The IUPAC name of ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate (CID 103484567) is ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate is CCOC(=O)CCC(=O)CN1CCC2CCCCC21.
What is the InChIKey of ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate?
The InChIKey is WGJJCRUGJYEXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-19-15(18)8-7-13(17)11-16-10-9-12-5-3-4-6-14(12)16/h12,14H,2-11H2,1H3.
What are the key properties of ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate?
ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate has a molecular weight of 267.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-oxopentanoate is sourced from PubChem (CID 103484567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).