1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one

C13H19NO2 — CID 156778731

IUPAC1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one
SMILESCCC(=O)C1(N2CCOCC2)C=CC=CC1
InChIInChI=1S/C13H19NO2/c1-2-12(15)13(6-4-3-5-7-13)14-8-10-16-11-9-14/h3-6H,2,7-11H2,1H3
InChIKeyWOAATPHSQWFIFB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.55
Rot. Bonds3

About 1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one

1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one (PubChem CID 156778731) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one
PubChem CID156778731
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one
SMILESCCC(=O)C1(N2CCOCC2)C=CC=CC1
InChIInChI=1S/C13H19NO2/c1-2-12(15)13(6-4-3-5-7-13)14-8-10-16-11-9-14/h3-6H,2,7-11H2,1H3
InChIKeyWOAATPHSQWFIFB-UHFFFAOYSA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one?
The IUPAC name of 1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one (CID 156778731) is 1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one.
What is the SMILES notation for 1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one?
The canonical SMILES for 1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one is CCC(=O)C1(N2CCOCC2)C=CC=CC1.
What is the InChIKey of 1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one?
The InChIKey is WOAATPHSQWFIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-12(15)13(6-4-3-5-7-13)14-8-10-16-11-9-14/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one?
1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one is sourced from PubChem (CID 156778731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).