1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone

C13H15NO2 — CID 142981202

IUPAC1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone
SMILESCC(=O)C1=CC=C=C(N2CCOCC2)C=C1
InChIInChI=1S/C13H15NO2/c1-11(15)12-3-2-4-13(6-5-12)14-7-9-16-10-8-14/h2-3,5-6H,7-10H2,1H3
InChIKeyUVRCBZOIAOUZKQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.44
Rot. Bonds2

About 1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone

1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone (PubChem CID 142981202) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone
PubChem CID142981202
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone
SMILESCC(=O)C1=CC=C=C(N2CCOCC2)C=C1
InChIInChI=1S/C13H15NO2/c1-11(15)12-3-2-4-13(6-5-12)14-7-9-16-10-8-14/h2-3,5-6H,7-10H2,1H3
InChIKeyUVRCBZOIAOUZKQ-UHFFFAOYSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 141520784
2-Amino-5-(morpholinomethyl)tropone
CID 584422
(E)-6-morpholin-4-ylhex-4-en-3-one
CID 14765507
4-Ethylidene-2,7-dimethyl-6-(1-morpholin-4-ylethenyl)dodeca-1,5,7,9-tetraen-3-one
CID 91201698
4-Morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 141267365
(4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one
CID 142407007
(3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one
CID 145369355
(4Z)-6-[2-methoxyethyl(methyl)amino]-3-methylidenehepta-4,6-dien-2-one
CID 145493843
1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]ethanone
CID 152586786
ethane;(E)-6-morpholin-4-ylhex-4-en-3-one
CID 171828452
6-Methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 175431729
5-Morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 176029708

Frequently Asked Questions

What is the IUPAC name of 1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone?
The IUPAC name of 1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone (CID 142981202) is 1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone.
What is the SMILES notation for 1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone?
The canonical SMILES for 1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone is CC(=O)C1=CC=C=C(N2CCOCC2)C=C1.
What is the InChIKey of 1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone?
The InChIKey is UVRCBZOIAOUZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-11(15)12-3-2-4-13(6-5-12)14-7-9-16-10-8-14/h2-3,5-6H,7-10H2,1H3.
What are the key properties of 1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone?
1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone has a molecular weight of 217.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone is sourced from PubChem (CID 142981202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).