1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one

C19H18N2O4 — CID 4559641

IUPAC1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H18N2O4/c22-19(10-3-15-1-6-18(7-2-15)21(23)24)16-4-8-17(9-5-16)20-11-13-25-14-12-20/h1-10H,11-14H2
InChIKeyJOCZMDXCCXATBS-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.33
Rot. Bonds5

About 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one

1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one (PubChem CID 4559641) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
PubChem CID4559641
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H18N2O4/c22-19(10-3-15-1-6-18(7-2-15)21(23)24)16-4-8-17(9-5-16)20-11-13-25-14-12-20/h1-10H,11-14H2
InChIKeyJOCZMDXCCXATBS-UHFFFAOYSA-N
XLogP3.33
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde
CID 6079708
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8685378
(E)-3-[4-(dimethylamino)-3-nitrophenyl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 6154355
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 7947303
3-(4,5-dimethoxy-2-nitrophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 4815913
3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 71852414
(E)-1-(4-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6254493
methyl 4-[3-(4-nitrophenyl)-3-oxoprop-1-enyl]benzoate
CID 3918365
(E)-3-(4-bromophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 5342193

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one (CID 4559641) is 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one is O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one?
The InChIKey is JOCZMDXCCXATBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-19(10-3-15-1-6-18(7-2-15)21(23)24)16-4-8-17(9-5-16)20-11-13-25-14-12-20/h1-10H,11-14H2.
What are the key properties of 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one?
1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one has a molecular weight of 338.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one is sourced from PubChem (CID 4559641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).