1-methyl-2,3-dihydroazepin-7-ol

C7H11NO — CID 174329051

IUPAC1-methyl-2,3-dihydroazepin-7-ol
SMILESCN1CCC=CC=C1O
InChIInChI=1S/C7H11NO/c1-8-6-4-2-3-5-7(8)9/h2-3,5,9H,4,6H2,1H3
InChIKeyNAJRYNCIMXDZEO-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.28
Rot. Bonds

About 1-methyl-2,3-dihydroazepin-7-ol

1-methyl-2,3-dihydroazepin-7-ol (PubChem CID 174329051) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-methyl-2,3-dihydroazepin-7-ol.

Molecular Properties

Compound Name1-methyl-2,3-dihydroazepin-7-ol
PubChem CID174329051
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-methyl-2,3-dihydroazepin-7-ol
SMILESCN1CCC=CC=C1O
InChIInChI=1S/C7H11NO/c1-8-6-4-2-3-5-7(8)9/h2-3,5,9H,4,6H2,1H3
InChIKeyNAJRYNCIMXDZEO-UHFFFAOYSA-N
XLogP1.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydroazepin-7-ol?
The IUPAC name of 1-methyl-2,3-dihydroazepin-7-ol (CID 174329051) is 1-methyl-2,3-dihydroazepin-7-ol.
What is the SMILES notation for 1-methyl-2,3-dihydroazepin-7-ol?
The canonical SMILES for 1-methyl-2,3-dihydroazepin-7-ol is CN1CCC=CC=C1O.
What is the InChIKey of 1-methyl-2,3-dihydroazepin-7-ol?
The InChIKey is NAJRYNCIMXDZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-6-4-2-3-5-7(8)9/h2-3,5,9H,4,6H2,1H3.
What are the key properties of 1-methyl-2,3-dihydroazepin-7-ol?
1-methyl-2,3-dihydroazepin-7-ol has a molecular weight of 125.17 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydroazepin-7-ol is sourced from PubChem (CID 174329051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).