(4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone

C19H24N2O2 — CID 95990079

IUPAC(4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCC4(CCOCC4)C3)[nH]c2c1
InChIInChI=1S/C19H24N2O2/c1-13-9-14(2)15-11-17(20-16(15)10-13)18(22)21-6-3-19(12-21)4-7-23-8-5-19/h9-11,20H,3-8,12H2,1-2H3
InChIKeyPJDVTYUGAZVWQA-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.43
Rot. Bonds1

About (4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone

(4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone (PubChem CID 95990079) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name(4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
PubChem CID95990079
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCC4(CCOCC4)C3)[nH]c2c1
InChIInChI=1S/C19H24N2O2/c1-13-9-14(2)15-11-17(20-16(15)10-13)18(22)21-6-3-19(12-21)4-7-23-8-5-19/h9-11,20H,3-8,12H2,1-2H3
InChIKeyPJDVTYUGAZVWQA-UHFFFAOYSA-N
XLogP3.43
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone (CID 95990079) is (4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for (4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for (4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone is Cc1cc(C)c2cc(C(=O)N3CCC4(CCOCC4)C3)[nH]c2c1.
What is the InChIKey of (4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The InChIKey is PJDVTYUGAZVWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-9-14(2)15-11-17(20-16(15)10-13)18(22)21-6-3-19(12-21)4-7-23-8-5-19/h9-11,20H,3-8,12H2,1-2H3.
What are the key properties of (4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
(4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone has a molecular weight of 312.41 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 95990079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).