1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one

C11H16N2O — CID 134458852

IUPAC1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one
SMILESCN1C=C2C(=CC1)CCCC(=O)N2C
InChIInChI=1S/C11H16N2O/c1-12-7-6-9-4-3-5-11(14)13(2)10(9)8-12/h6,8H,3-5,7H2,1-2H3
InChIKeyAXQWVTGOMQRYAA-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.34
Rot. Bonds

About 1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one

1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one (PubChem CID 134458852) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one.

Molecular Properties

Compound Name1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one
PubChem CID134458852
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one
SMILESCN1C=C2C(=CC1)CCCC(=O)N2C
InChIInChI=1S/C11H16N2O/c1-12-7-6-9-4-3-5-11(14)13(2)10(9)8-12/h6,8H,3-5,7H2,1-2H3
InChIKeyAXQWVTGOMQRYAA-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one?
The IUPAC name of 1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one (CID 134458852) is 1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one.
What is the SMILES notation for 1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one?
The canonical SMILES for 1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one is CN1C=C2C(=CC1)CCCC(=O)N2C.
What is the InChIKey of 1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one?
The InChIKey is AXQWVTGOMQRYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-7-6-9-4-3-5-11(14)13(2)10(9)8-12/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one?
1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-3,4,5,7-tetrahydropyrido[3,4-b]azepin-2-one is sourced from PubChem (CID 134458852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).