5-ethyl-7-propan-2-yl-4H-azepin-6-ol

C11H17NO — CID 143740822

IUPAC5-ethyl-7-propan-2-yl-4H-azepin-6-ol
SMILESCCC1=C(O)C(C(C)C)=NC=CC1
InChIInChI=1S/C11H17NO/c1-4-9-6-5-7-12-10(8(2)3)11(9)13/h5,7-8,13H,4,6H2,1-3H3
InChIKeyYMUGNDXLRPIBTN-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.22
Rot. Bonds2

About 5-ethyl-7-propan-2-yl-4H-azepin-6-ol

5-ethyl-7-propan-2-yl-4H-azepin-6-ol (PubChem CID 143740822) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-ethyl-7-propan-2-yl-4H-azepin-6-ol.

Molecular Properties

Compound Name5-ethyl-7-propan-2-yl-4H-azepin-6-ol
PubChem CID143740822
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-ethyl-7-propan-2-yl-4H-azepin-6-ol
SMILESCCC1=C(O)C(C(C)C)=NC=CC1
InChIInChI=1S/C11H17NO/c1-4-9-6-5-7-12-10(8(2)3)11(9)13/h5,7-8,13H,4,6H2,1-3H3
InChIKeyYMUGNDXLRPIBTN-UHFFFAOYSA-N
XLogP3.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-propan-2-yl-4H-azepin-6-ol?
The IUPAC name of 5-ethyl-7-propan-2-yl-4H-azepin-6-ol (CID 143740822) is 5-ethyl-7-propan-2-yl-4H-azepin-6-ol.
What is the SMILES notation for 5-ethyl-7-propan-2-yl-4H-azepin-6-ol?
The canonical SMILES for 5-ethyl-7-propan-2-yl-4H-azepin-6-ol is CCC1=C(O)C(C(C)C)=NC=CC1.
What is the InChIKey of 5-ethyl-7-propan-2-yl-4H-azepin-6-ol?
The InChIKey is YMUGNDXLRPIBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-9-6-5-7-12-10(8(2)3)11(9)13/h5,7-8,13H,4,6H2,1-3H3.
What are the key properties of 5-ethyl-7-propan-2-yl-4H-azepin-6-ol?
5-ethyl-7-propan-2-yl-4H-azepin-6-ol has a molecular weight of 179.26 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-propan-2-yl-4H-azepin-6-ol is sourced from PubChem (CID 143740822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).