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

C14H21N3O2 — CID 97193570

IUPAC7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc([C@H]3CCCCO3)[nH]c2C1
InChIInChI=1S/C14H21N3O2/c1-14(2)7-9-11(13(18)15-8-14)17-12(16-9)10-5-3-4-6-19-10/h10H,3-8H2,1-2H3,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyVHZIOSOWSKZGMD-SNVBAGLBSA-N
MW263.34 g/mol
LogP1.96
Rot. Bonds1

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

7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (PubChem CID 97193570) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
PubChem CID97193570
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc([C@H]3CCCCO3)[nH]c2C1
InChIInChI=1S/C14H21N3O2/c1-14(2)7-9-11(13(18)15-8-14)17-12(16-9)10-5-3-4-6-19-10/h10H,3-8H2,1-2H3,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyVHZIOSOWSKZGMD-SNVBAGLBSA-N
XLogP1.96
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50958650
7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 72925991
7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 63722483
7,7-dimethyl-2-[(2R)-2-pyrrolidin-1-ylpropyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 95132023
7,7-dimethyl-2-quinolin-3-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50985638
2-[1-(dimethylamino)-2-methylpropan-2-yl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50982143
2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331461
2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136920498
7,7-dimethyl-2-[2-(N-methylanilino)ethyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50973954
2-[methoxy(thiophen-2-yl)methyl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50976070
2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477562
2-(oxan-2-yl)-1H-benzimidazol-4-amine
CID 63694577

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The IUPAC name of 7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (CID 97193570) is 7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The canonical SMILES for 7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is CC1(C)CNC(=O)c2nc([C@H]3CCCCO3)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The InChIKey is VHZIOSOWSKZGMD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2)7-9-11(13(18)15-8-14)17-12(16-9)10-5-3-4-6-19-10/h10H,3-8H2,1-2H3,(H,15,18)(H,16,17)/t10-/m1/s1.
What are the key properties of 7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one has a molecular weight of 263.34 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[(2R)-oxan-2-yl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 97193570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).