1H-azepin-4-ylmethanol

C7H9NO — CID 70473240

IUPAC1H-azepin-4-ylmethanol
SMILESOCC1=CC=CNC=C1
InChIInChI=1S/C7H9NO/c9-6-7-2-1-4-8-5-3-7/h1-5,8-9H,6H2
InChIKeyQTPYJXVVUMUFJA-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.54
Rot. Bonds1

About 1H-azepin-4-ylmethanol

1H-azepin-4-ylmethanol (PubChem CID 70473240) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1H-azepin-4-ylmethanol.

Molecular Properties

Compound Name1H-azepin-4-ylmethanol
PubChem CID70473240
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1H-azepin-4-ylmethanol
SMILESOCC1=CC=CNC=C1
InChIInChI=1S/C7H9NO/c9-6-7-2-1-4-8-5-3-7/h1-5,8-9H,6H2
InChIKeyQTPYJXVVUMUFJA-UHFFFAOYSA-N
XLogP0.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol
CID 139506613
1,2-Dihydropyridin-4-ylmethanol
CID 426212
1,2-Dihydropyridin-5-ylmethanol
CID 19045944
1-(1H-azepin-3-yl)ethanol
CID 22019434
1H-azepin-3-ylmethanol
CID 22019459
4-Methyl-1,2-dihydropyridin-2-ol
CID 57618840
2-(1H-azepin-3-yl)ethanol
CID 69520904
(6-methyl-1H-azepin-4-yl)methanol
CID 70472138
(6-ethyl-1H-azepin-4-yl)methanol
CID 70472240
(3-methyl-1H-azepin-4-yl)methanol
CID 70473243
1-(1H-azepin-4-yl)ethanol
CID 89156860
2-(1H-azepin-4-yl)ethanol
CID 89156861

Frequently Asked Questions

What is the IUPAC name of 1H-azepin-4-ylmethanol?
The IUPAC name of 1H-azepin-4-ylmethanol (CID 70473240) is 1H-azepin-4-ylmethanol.
What is the SMILES notation for 1H-azepin-4-ylmethanol?
The canonical SMILES for 1H-azepin-4-ylmethanol is OCC1=CC=CNC=C1.
What is the InChIKey of 1H-azepin-4-ylmethanol?
The InChIKey is QTPYJXVVUMUFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c9-6-7-2-1-4-8-5-3-7/h1-5,8-9H,6H2.
What are the key properties of 1H-azepin-4-ylmethanol?
1H-azepin-4-ylmethanol has a molecular weight of 123.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepin-4-ylmethanol is sourced from PubChem (CID 70473240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).