1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one

C15H25NO — CID 21050594

IUPAC1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one
SMILESCCCC1C(C)=C(C)C(=O)N(CC)C(C)=C1C
InChIInChI=1S/C15H25NO/c1-7-9-14-10(3)11(4)15(17)16(8-2)13(6)12(14)5/h14H,7-9H2,1-6H3
InChIKeyLERSCJPQDPXZAP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.90
Rot. Bonds3

About 1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one

1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one (PubChem CID 21050594) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one.

Molecular Properties

Compound Name1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one
PubChem CID21050594
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one
SMILESCCCC1C(C)=C(C)C(=O)N(CC)C(C)=C1C
InChIInChI=1S/C15H25NO/c1-7-9-14-10(3)11(4)15(17)16(8-2)13(6)12(14)5/h14H,7-9H2,1-6H3
InChIKeyLERSCJPQDPXZAP-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1,2,3-tri(propan-2-yl)-2H-pyrrol-5-one
CID 58045174
1,3,4,6-Tetramethyl-5-propan-2-ylpyridin-2-one
CID 59339044
2,3,4,5,6,7-hexamethyl-5H-cyclopenta[c]pyridin-1-one
CID 68198299
1,2,3,6,7-Pentamethyl-4,5-dihydroazocin-8-one
CID 123983578
(E)-N,N-diethyl-2,3-dimethylhept-2-enamide
CID 137429133
ethane;1,2,3,5,6-penta(propan-2-yl)-4H-azepin-7-one
CID 158647946
1,2,3,5,6-penta(propan-2-yl)-4H-azepin-7-one
CID 158647947
ethane;2-methylpropane;1,2,3,5,6-penta(propan-2-yl)-4H-azepin-7-one
CID 158795896
4,5-Diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one
CID 166080859
1,3,4-trimethyl-2-propan-2-yl-2H-pyrrol-5-one
CID 166932430
3,4-Dimethyl-1,5,6-tri(propan-2-yl)pyridin-2-one
CID 170037450
3,4,5,5-Tetramethyl-1,6,7-tri(propan-2-yl)azepin-2-one
CID 170037507

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one?
The IUPAC name of 1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one (CID 21050594) is 1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one.
What is the SMILES notation for 1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one?
The canonical SMILES for 1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one is CCCC1C(C)=C(C)C(=O)N(CC)C(C)=C1C.
What is the InChIKey of 1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one?
The InChIKey is LERSCJPQDPXZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-7-9-14-10(3)11(4)15(17)16(8-2)13(6)12(14)5/h14H,7-9H2,1-6H3.
What are the key properties of 1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one?
1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one has a molecular weight of 235.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one is sourced from PubChem (CID 21050594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).