7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

C15H24N4O2 — CID 72837613

IUPAC7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc(CCN3CCOCC3)[nH]c2C1
InChIInChI=1S/C15H24N4O2/c1-15(2)9-11-13(14(20)16-10-15)18-12(17-11)3-4-19-5-7-21-8-6-19/h3-10H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyGITGQLXTHPXTEI-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.60
Rot. Bonds3

About 7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (PubChem CID 72837613) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
PubChem CID72837613
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc(CCN3CCOCC3)[nH]c2C1
InChIInChI=1S/C15H24N4O2/c1-15(2)9-11-13(14(20)16-10-15)18-12(17-11)3-4-19-5-7-21-8-6-19/h3-10H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyGITGQLXTHPXTEI-UHFFFAOYSA-N
XLogP0.60
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The IUPAC name of 7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (CID 72837613) is 7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The canonical SMILES for 7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is CC1(C)CNC(=O)c2nc(CCN3CCOCC3)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The InChIKey is GITGQLXTHPXTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2)9-11-13(14(20)16-10-15)18-12(17-11)3-4-19-5-7-21-8-6-19/h3-10H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one has a molecular weight of 292.38 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(2-morpholin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 72837613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).