9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C19H25N3O2 — CID 56906368

IUPAC9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1[nH]c2c(CN3CCCC4(C3)CN(C)C(=O)O4)cccc2c1C
InChIInChI=1S/C19H25N3O2/c1-13-14(2)20-17-15(6-4-7-16(13)17)10-22-9-5-8-19(12-22)11-21(3)18(23)24-19/h4,6-7,20H,5,8-12H2,1-3H3
InChIKeyIHQLRBCPIIEWHP-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.20
Rot. Bonds2

About 9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56906368) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56906368
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1[nH]c2c(CN3CCCC4(C3)CN(C)C(=O)O4)cccc2c1C
InChIInChI=1S/C19H25N3O2/c1-13-14(2)20-17-15(6-4-7-16(13)17)10-22-9-5-8-19(12-22)11-21(3)18(23)24-19/h4,6-7,20H,5,8-12H2,1-3H3
InChIKeyIHQLRBCPIIEWHP-UHFFFAOYSA-N
XLogP3.20
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56906368) is 9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1[nH]c2c(CN3CCCC4(C3)CN(C)C(=O)O4)cccc2c1C.
What is the InChIKey of 9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is IHQLRBCPIIEWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-14(2)20-17-15(6-4-7-16(13)17)10-22-9-5-8-19(12-22)11-21(3)18(23)24-19/h4,6-7,20H,5,8-12H2,1-3H3.
What are the key properties of 9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 327.43 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56906368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).