6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one

C17H23N3O4 — CID 91631766

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc2c(cc1=O)CC(C(=O)N1CCC3(CC1)OCCO3)CC2
InChIInChI=1S/C17H23N3O4/c1-19-15(21)11-13-10-12(2-3-14(13)18-19)16(22)20-6-4-17(5-7-20)23-8-9-24-17/h11-12H,2-10H2,1H3
InChIKeyCTRMEGYDSBITDA-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.25
Rot. Bonds1

About 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one

6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 91631766) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID91631766
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc2c(cc1=O)CC(C(=O)N1CCC3(CC1)OCCO3)CC2
InChIInChI=1S/C17H23N3O4/c1-19-15(21)11-13-10-12(2-3-14(13)18-19)16(22)20-6-4-17(5-7-20)23-8-9-24-17/h11-12H,2-10H2,1H3
InChIKeyCTRMEGYDSBITDA-UHFFFAOYSA-N
XLogP0.25
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one (CID 91631766) is 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one is Cn1nc2c(cc1=O)CC(C(=O)N1CCC3(CC1)OCCO3)CC2.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is CTRMEGYDSBITDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-19-15(21)11-13-10-12(2-3-14(13)18-19)16(22)20-6-4-17(5-7-20)23-8-9-24-17/h11-12H,2-10H2,1H3.
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 333.39 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 91631766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).