1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone

C14H21NO2 — CID 70333659

IUPAC1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone
SMILESCC(=O)C1CN(CC2=CCCC(C)=C2)CCO1
InChIInChI=1S/C14H21NO2/c1-11-4-3-5-13(8-11)9-15-6-7-17-14(10-15)12(2)16/h5,8,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyFUUJKPPIHGGDSF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.94
Rot. Bonds3

About 1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone

1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone (PubChem CID 70333659) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone
PubChem CID70333659
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone
SMILESCC(=O)C1CN(CC2=CCCC(C)=C2)CCO1
InChIInChI=1S/C14H21NO2/c1-11-4-3-5-13(8-11)9-15-6-7-17-14(10-15)12(2)16/h5,8,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyFUUJKPPIHGGDSF-UHFFFAOYSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone with MolForge

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Related Compounds

1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone
CID 143482919
2-Ethyl-5-(morpholin-4-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 21643426
3,5-Dimethyl-2-(morpholin-4-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 66583941
Methyl 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholine-2-carboxylate
CID 68357075
3,5-Dimethyl-2-(morpholin-4-ylmethyl)cyclohexa-2,5-diene-1,4-dione;hydron
CID 174852788
3-Methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-one
CID 79189830
3-Methyl-1-(4-propan-2-ylmorpholin-2-yl)but-2-en-1-one
CID 79658149
1-(4-Ethylmorpholin-2-yl)-3-methylbut-2-en-1-one
CID 79667262
3-Methyl-1-(4-propylmorpholin-2-yl)but-2-en-1-one
CID 79669383
2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one
CID 162740826

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone?
The IUPAC name of 1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone (CID 70333659) is 1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone?
The canonical SMILES for 1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone is CC(=O)C1CN(CC2=CCCC(C)=C2)CCO1.
What is the InChIKey of 1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone?
The InChIKey is FUUJKPPIHGGDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-3-5-13(8-11)9-15-6-7-17-14(10-15)12(2)16/h5,8,14H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone?
1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone has a molecular weight of 235.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]morpholin-2-yl]ethanone is sourced from PubChem (CID 70333659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).