(6-ethyl-1H-azepin-4-yl)methanol

C9H13NO — CID 70472240

IUPAC(6-ethyl-1H-azepin-4-yl)methanol
SMILESCCC1=CNC=CC(CO)=C1
InChIInChI=1S/C9H13NO/c1-2-8-5-9(7-11)3-4-10-6-8/h3-6,10-11H,2,7H2,1H3
InChIKeyHGAUFNSMMZSHFD-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.32
Rot. Bonds2

About (6-ethyl-1H-azepin-4-yl)methanol

(6-ethyl-1H-azepin-4-yl)methanol (PubChem CID 70472240) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (6-ethyl-1H-azepin-4-yl)methanol.

Molecular Properties

Compound Name(6-ethyl-1H-azepin-4-yl)methanol
PubChem CID70472240
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(6-ethyl-1H-azepin-4-yl)methanol
SMILESCCC1=CNC=CC(CO)=C1
InChIInChI=1S/C9H13NO/c1-2-8-5-9(7-11)3-4-10-6-8/h3-6,10-11H,2,7H2,1H3
InChIKeyHGAUFNSMMZSHFD-UHFFFAOYSA-N
XLogP1.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-1H-azepin-4-yl)methanol?
The IUPAC name of (6-ethyl-1H-azepin-4-yl)methanol (CID 70472240) is (6-ethyl-1H-azepin-4-yl)methanol.
What is the SMILES notation for (6-ethyl-1H-azepin-4-yl)methanol?
The canonical SMILES for (6-ethyl-1H-azepin-4-yl)methanol is CCC1=CNC=CC(CO)=C1.
What is the InChIKey of (6-ethyl-1H-azepin-4-yl)methanol?
The InChIKey is HGAUFNSMMZSHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-8-5-9(7-11)3-4-10-6-8/h3-6,10-11H,2,7H2,1H3.
What are the key properties of (6-ethyl-1H-azepin-4-yl)methanol?
(6-ethyl-1H-azepin-4-yl)methanol has a molecular weight of 151.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-1H-azepin-4-yl)methanol is sourced from PubChem (CID 70472240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).