(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate

C19H20N2O3 — CID 70385420

IUPAC(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate
SMILESO=C(OC1C2CC3CCCC1N3CC2=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H20N2O3/c22-17-10-21-12-5-3-7-16(21)18(13(17)9-12)24-19(23)15-8-11-4-1-2-6-14(11)20-15/h1-2,4,6,8,12-13,16,18,20H,3,5,7,9-10H2
InChIKeyFUFMDKZALNXXIK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.52
Rot. Bonds2

About (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate

(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate (PubChem CID 70385420) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate.

Molecular Properties

Compound Name(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate
PubChem CID70385420
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate
SMILESO=C(OC1C2CC3CCCC1N3CC2=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H20N2O3/c22-17-10-21-12-5-3-7-16(21)18(13(17)9-12)24-19(23)15-8-11-4-1-2-6-14(11)20-15/h1-2,4,6,8,12-13,16,18,20H,3,5,7,9-10H2
InChIKeyFUFMDKZALNXXIK-UHFFFAOYSA-N
XLogP2.52
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate with MolForge

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Related Compounds

[(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate
CID 8013052
cyclobutyl(1H-indol-2-yl)methanone
CID 129170874
(2,2,6,6-tetramethylpiperidin-4-yl) 1H-indole-2-carboxylate
CID 54385727
chloro 1H-indole-2-carboxylate
CID 68813525
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
CID 61237731
cyclobutyl 5-amino-1H-indole-2-carboxylate
CID 107363368
[2-(cyclopentylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723573
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate
CID 7722919
N-(3-ethoxycyclobutyl)-1H-indole-2-carboxamide
CID 102612122
(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378
(1-carbamoylcyclobutyl) 1H-indole-2-carboxylate
CID 91407160

Frequently Asked Questions

What is the IUPAC name of (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate?
The IUPAC name of (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate (CID 70385420) is (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate.
What is the SMILES notation for (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate?
The canonical SMILES for (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate is O=C(OC1C2CC3CCCC1N3CC2=O)c1cc2ccccc2[nH]1.
What is the InChIKey of (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate?
The InChIKey is FUFMDKZALNXXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-17-10-21-12-5-3-7-16(21)18(13(17)9-12)24-19(23)15-8-11-4-1-2-6-14(11)20-15/h1-2,4,6,8,12-13,16,18,20H,3,5,7,9-10H2.
What are the key properties of (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate?
(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate is sourced from PubChem (CID 70385420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).