2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

C17H28N4O — CID 70777392

IUPAC2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(CCc1nccn1C)CC2
InChIInChI=1S/C17H28N4O/c1-3-21-14-17(6-4-16(21)22)7-11-20(12-8-17)10-5-15-18-9-13-19(15)2/h9,13H,3-8,10-12,14H2,1-2H3
InChIKeyWJGRHRBJODCXPV-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.69
Rot. Bonds4

About 2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70777392) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70777392
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(CCc1nccn1C)CC2
InChIInChI=1S/C17H28N4O/c1-3-21-14-17(6-4-16(21)22)7-11-20(12-8-17)10-5-15-18-9-13-19(15)2/h9,13H,3-8,10-12,14H2,1-2H3
InChIKeyWJGRHRBJODCXPV-UHFFFAOYSA-N
XLogP1.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70777392) is 2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(CCc1nccn1C)CC2.
What is the InChIKey of 2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WJGRHRBJODCXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-21-14-17(6-4-16(21)22)7-11-20(12-8-17)10-5-15-18-9-13-19(15)2/h9,13H,3-8,10-12,14H2,1-2H3.
What are the key properties of 2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 304.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70777392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).