1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one

C19H23NO2 — CID 11822610

IUPAC1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one
SMILESC=C(C1=CCCc2cc(OC)ccc21)N1CCCCCC1=O
InChIInChI=1S/C19H23NO2/c1-14(20-12-5-3-4-9-19(20)21)17-8-6-7-15-13-16(22-2)10-11-18(15)17/h8,10-11,13H,1,3-7,9,12H2,2H3
InChIKeyUQBOMGBBRRACNH-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.94
Rot. Bonds3

About 1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one

1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one (PubChem CID 11822610) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one.

Molecular Properties

Compound Name1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one
PubChem CID11822610
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one
SMILESC=C(C1=CCCc2cc(OC)ccc21)N1CCCCCC1=O
InChIInChI=1S/C19H23NO2/c1-14(20-12-5-3-4-9-19(20)21)17-8-6-7-15-13-16(22-2)10-11-18(15)17/h8,10-11,13H,1,3-7,9,12H2,2H3
InChIKeyUQBOMGBBRRACNH-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one?
The IUPAC name of 1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one (CID 11822610) is 1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one.
What is the SMILES notation for 1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one?
The canonical SMILES for 1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one is C=C(C1=CCCc2cc(OC)ccc21)N1CCCCCC1=O.
What is the InChIKey of 1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one?
The InChIKey is UQBOMGBBRRACNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(20-12-5-3-4-9-19(20)21)17-8-6-7-15-13-16(22-2)10-11-18(15)17/h8,10-11,13H,1,3-7,9,12H2,2H3.
What are the key properties of 1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one?
1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one has a molecular weight of 297.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenyl]azepan-2-one is sourced from PubChem (CID 11822610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).