6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one

C18H27N3O2 — CID 123265677

IUPAC6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one
SMILESCCc1cc(C2C3CC4(CC32)CN(C)C(=O)CO4)n(C(C)C)n1
InChIInChI=1S/C18H27N3O2/c1-5-12-6-15(21(19-12)11(2)3)17-13-7-18(8-14(13)17)10-20(4)16(22)9-23-18/h6,11,13-14,17H,5,7-10H2,1-4H3
InChIKeyTUKCKQBJMLVUGO-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.38
Rot. Bonds3

About 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one

6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one (PubChem CID 123265677) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one.

Molecular Properties

Compound Name6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one
PubChem CID123265677
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one
SMILESCCc1cc(C2C3CC4(CC32)CN(C)C(=O)CO4)n(C(C)C)n1
InChIInChI=1S/C18H27N3O2/c1-5-12-6-15(21(19-12)11(2)3)17-13-7-18(8-14(13)17)10-20(4)16(22)9-23-18/h6,11,13-14,17H,5,7-10H2,1-4H3
InChIKeyTUKCKQBJMLVUGO-UHFFFAOYSA-N
XLogP2.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one?
The IUPAC name of 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one (CID 123265677) is 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one.
What is the SMILES notation for 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one?
The canonical SMILES for 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one is CCc1cc(C2C3CC4(CC32)CN(C)C(=O)CO4)n(C(C)C)n1.
What is the InChIKey of 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one?
The InChIKey is TUKCKQBJMLVUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-12-6-15(21(19-12)11(2)3)17-13-7-18(8-14(13)17)10-20(4)16(22)9-23-18/h6,11,13-14,17H,5,7-10H2,1-4H3.
What are the key properties of 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one?
6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one has a molecular weight of 317.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one is sourced from PubChem (CID 123265677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).