[6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone

C18H24N4O2 — CID 166520585

IUPAC[6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCC(C)n1cnc(C(=O)N2CC3C(C2)C3(C)C2=NOC3(CC3)C2)c1
InChIInChI=1S/C18H24N4O2/c1-11(2)22-9-14(19-10-22)16(23)21-7-12-13(8-21)17(12,3)15-6-18(4-5-18)24-20-15/h9-13H,4-8H2,1-3H3
InChIKeyVRLZGEARFQFGTC-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.48
Rot. Bonds3

About [6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone

[6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone (PubChem CID 166520585) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone
PubChem CID166520585
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCC(C)n1cnc(C(=O)N2CC3C(C2)C3(C)C2=NOC3(CC3)C2)c1
InChIInChI=1S/C18H24N4O2/c1-11(2)22-9-14(19-10-22)16(23)21-7-12-13(8-21)17(12,3)15-6-18(4-5-18)24-20-15/h9-13H,4-8H2,1-3H3
InChIKeyVRLZGEARFQFGTC-UHFFFAOYSA-N
XLogP2.48
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The IUPAC name of [6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone (CID 166520585) is [6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone.
What is the SMILES notation for [6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The canonical SMILES for [6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone is CC(C)n1cnc(C(=O)N2CC3C(C2)C3(C)C2=NOC3(CC3)C2)c1.
What is the InChIKey of [6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The InChIKey is VRLZGEARFQFGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)22-9-14(19-10-22)16(23)21-7-12-13(8-21)17(12,3)15-6-18(4-5-18)24-20-15/h9-13H,4-8H2,1-3H3.
What are the key properties of [6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
[6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-6-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone is sourced from PubChem (CID 166520585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).