7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol

C9H15NO — CID 163996940

IUPAC7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol
SMILESCCC1NCC(O)=CC=C1C
InChIInChI=1S/C9H15NO/c1-3-9-7(2)4-5-8(11)6-10-9/h4-5,9-11H,3,6H2,1-2H3
InChIKeyUFMWCDPFVGYGQB-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.76
Rot. Bonds1

About 7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol

7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol (PubChem CID 163996940) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol.

Molecular Properties

Compound Name7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol
PubChem CID163996940
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol
SMILESCCC1NCC(O)=CC=C1C
InChIInChI=1S/C9H15NO/c1-3-9-7(2)4-5-8(11)6-10-9/h4-5,9-11H,3,6H2,1-2H3
InChIKeyUFMWCDPFVGYGQB-UHFFFAOYSA-N
XLogP1.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol?
The IUPAC name of 7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol (CID 163996940) is 7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol.
What is the SMILES notation for 7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol?
The canonical SMILES for 7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol is CCC1NCC(O)=CC=C1C.
What is the InChIKey of 7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol?
The InChIKey is UFMWCDPFVGYGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9-7(2)4-5-8(11)6-10-9/h4-5,9-11H,3,6H2,1-2H3.
What are the key properties of 7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol?
7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol has a molecular weight of 153.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methyl-2,7-dihydro-1H-azepin-3-ol is sourced from PubChem (CID 163996940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).