(1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one

C14H17NO3 — CID 165430661

IUPAC(1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one
SMILESCOc1cc2c(cc1OC)[C@@H](C)C(=O)N(C)C=C2
InChIInChI=1S/C14H17NO3/c1-9-11-8-13(18-4)12(17-3)7-10(11)5-6-15(2)14(9)16/h5-9H,1-4H3/t9-/m1/s1
InChIKeyDIOZLEANHAFFJH-SECBINFHSA-N
MW247.29 g/mol
LogP2.25
Rot. Bonds2

About (1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one

(1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one (PubChem CID 165430661) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one.

Molecular Properties

Compound Name(1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one
PubChem CID165430661
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one
SMILESCOc1cc2c(cc1OC)[C@@H](C)C(=O)N(C)C=C2
InChIInChI=1S/C14H17NO3/c1-9-11-8-13(18-4)12(17-3)7-10(11)5-6-15(2)14(9)16/h5-9H,1-4H3/t9-/m1/s1
InChIKeyDIOZLEANHAFFJH-SECBINFHSA-N
XLogP2.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one?
The IUPAC name of (1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one (CID 165430661) is (1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one.
What is the SMILES notation for (1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one?
The canonical SMILES for (1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one is COc1cc2c(cc1OC)[C@@H](C)C(=O)N(C)C=C2.
What is the InChIKey of (1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one?
The InChIKey is DIOZLEANHAFFJH-SECBINFHSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-11-8-13(18-4)12(17-3)7-10(11)5-6-15(2)14(9)16/h5-9H,1-4H3/t9-/m1/s1.
What are the key properties of (1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one?
(1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7,8-dimethoxy-1,3-dimethyl-1H-3-benzazepin-2-one is sourced from PubChem (CID 165430661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).