8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

C25H30N6O3 — CID 118233033

IUPAC8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(N(C)Cc4cc5c(cc4C)-c4nnnn4C5)CC3)C2=O)COC1=O
InChIInChI=1S/C25H30N6O3/c1-15-10-20-18(13-31-22(20)26-27-28-31)11-17(15)12-29(3)19-4-6-25(7-5-19)8-9-30(24(25)33)21-14-34-23(32)16(21)2/h10-11,19H,4-9,12-14H2,1-3H3
InChIKeyNLXUMBVYAWHOAE-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.43
Rot. Bonds4

About 8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 118233033) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID118233033
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCC(N(C)Cc4cc5c(cc4C)-c4nnnn4C5)CC3)C2=O)COC1=O
InChIInChI=1S/C25H30N6O3/c1-15-10-20-18(13-31-22(20)26-27-28-31)11-17(15)12-29(3)19-4-6-25(7-5-19)8-9-30(24(25)33)21-14-34-23(32)16(21)2/h10-11,19H,4-9,12-14H2,1-3H3
InChIKeyNLXUMBVYAWHOAE-UHFFFAOYSA-N
XLogP2.43
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (CID 118233033) is 8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCC(N(C)Cc4cc5c(cc4C)-c4nnnn4C5)CC3)C2=O)COC1=O.
What is the InChIKey of 8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is NLXUMBVYAWHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-15-10-20-18(13-31-22(20)26-27-28-31)11-17(15)12-29(3)19-4-6-25(7-5-19)8-9-30(24(25)33)21-14-34-23(32)16(21)2/h10-11,19H,4-9,12-14H2,1-3H3.
What are the key properties of 8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 462.55 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl-[(8-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)methyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118233033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).