3-methylazepin-3-ol

C7H9NO — CID 143458164

IUPAC3-methylazepin-3-ol
SMILESCC1(O)C=CC=CN=C1
InChIInChI=1S/C7H9NO/c1-7(9)4-2-3-5-8-6-7/h2-6,9H,1H3
InChIKeyNYKZNSBMAGUJFO-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.89
Rot. Bonds

About 3-methylazepin-3-ol

3-methylazepin-3-ol (PubChem CID 143458164) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-methylazepin-3-ol.

Molecular Properties

Compound Name3-methylazepin-3-ol
PubChem CID143458164
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-methylazepin-3-ol
SMILESCC1(O)C=CC=CN=C1
InChIInChI=1S/C7H9NO/c1-7(9)4-2-3-5-8-6-7/h2-6,9H,1H3
InChIKeyNYKZNSBMAGUJFO-UHFFFAOYSA-N
XLogP0.89
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylazepin-3-ol?
The IUPAC name of 3-methylazepin-3-ol (CID 143458164) is 3-methylazepin-3-ol.
What is the SMILES notation for 3-methylazepin-3-ol?
The canonical SMILES for 3-methylazepin-3-ol is CC1(O)C=CC=CN=C1.
What is the InChIKey of 3-methylazepin-3-ol?
The InChIKey is NYKZNSBMAGUJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-7(9)4-2-3-5-8-6-7/h2-6,9H,1H3.
What are the key properties of 3-methylazepin-3-ol?
3-methylazepin-3-ol has a molecular weight of 123.15 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazepin-3-ol is sourced from PubChem (CID 143458164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).