3-methyl-1H-1-benzazocin-2-one

C12H11NO — CID 74259383

IUPAC3-methyl-1H-1-benzazocin-2-one
SMILESCC1=CC=Cc2ccccc2NC1=O
InChIInChI=1S/C12H11NO/c1-9-5-4-7-10-6-2-3-8-11(10)13-12(9)14/h2-8H,1H3,(H,13,14)
InChIKeyZOXJTLGLSMVCQE-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.60
Rot. Bonds

About 3-methyl-1H-1-benzazocin-2-one

3-methyl-1H-1-benzazocin-2-one (PubChem CID 74259383) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-methyl-1H-1-benzazocin-2-one.

Molecular Properties

Compound Name3-methyl-1H-1-benzazocin-2-one
PubChem CID74259383
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3-methyl-1H-1-benzazocin-2-one
SMILESCC1=CC=Cc2ccccc2NC1=O
InChIInChI=1S/C12H11NO/c1-9-5-4-7-10-6-2-3-8-11(10)13-12(9)14/h2-8H,1H3,(H,13,14)
InChIKeyZOXJTLGLSMVCQE-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-1-benzazocin-2-one?
The IUPAC name of 3-methyl-1H-1-benzazocin-2-one (CID 74259383) is 3-methyl-1H-1-benzazocin-2-one.
What is the SMILES notation for 3-methyl-1H-1-benzazocin-2-one?
The canonical SMILES for 3-methyl-1H-1-benzazocin-2-one is CC1=CC=Cc2ccccc2NC1=O.
What is the InChIKey of 3-methyl-1H-1-benzazocin-2-one?
The InChIKey is ZOXJTLGLSMVCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-9-5-4-7-10-6-2-3-8-11(10)13-12(9)14/h2-8H,1H3,(H,13,14).
What are the key properties of 3-methyl-1H-1-benzazocin-2-one?
3-methyl-1H-1-benzazocin-2-one has a molecular weight of 185.23 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-1-benzazocin-2-one is sourced from PubChem (CID 74259383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).