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

C15H23N3O2 — CID 50958650

IUPAC7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc(CC3CCCCO3)[nH]c2C1
InChIInChI=1S/C15H23N3O2/c1-15(2)8-11-13(14(19)16-9-15)18-12(17-11)7-10-5-3-4-6-20-10/h10H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDLUUQNOITCEZDA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.83
Rot. Bonds2

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

7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (PubChem CID 50958650) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
PubChem CID50958650
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc(CC3CCCCO3)[nH]c2C1
InChIInChI=1S/C15H23N3O2/c1-15(2)8-11-13(14(19)16-9-15)18-12(17-11)7-10-5-3-4-6-20-10/h10H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDLUUQNOITCEZDA-UHFFFAOYSA-N
XLogP1.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one with MolForge

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Related Compounds

7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 97193570
N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide
CID 50962662
7,7-dimethyl-2-[(2R)-2-pyrrolidin-1-ylpropyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 95132023
2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964507
2-(oxan-2-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477343
7,7-dimethyl-2-[2-(N-methylanilino)ethyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50973954
4-cyclopropyl-5-iodo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730225
4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136964515
4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136852169
8-(oxolan-2-ylmethyl)-7H-purine
CID 114402512
N-[[2-(oxan-2-ylmethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 113391724
6-(oxolan-2-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135518148

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The IUPAC name of 7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (CID 50958650) is 7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The canonical SMILES for 7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is CC1(C)CNC(=O)c2nc(CC3CCCCO3)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The InChIKey is DLUUQNOITCEZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2)8-11-13(14(19)16-9-15)18-12(17-11)7-10-5-3-4-6-20-10/h10H,3-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one has a molecular weight of 277.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 50958650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).