4-(2-nitro-1,2-diphenylethenyl)morpholine

C18H18N2O3 — CID 71333011

IUPAC4-(2-nitro-1,2-diphenylethenyl)morpholine
SMILESO=[N+]([O-])C(=C(c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-20(22)18(16-9-5-2-6-10-16)17(15-7-3-1-4-8-15)19-11-13-23-14-12-19/h1-10H,11-14H2
InChIKeyKDVSIGSSTJQATR-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.12
Rot. Bonds4

About 4-(2-nitro-1,2-diphenylethenyl)morpholine

4-(2-nitro-1,2-diphenylethenyl)morpholine (PubChem CID 71333011) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-(2-nitro-1,2-diphenylethenyl)morpholine.

Molecular Properties

Compound Name4-(2-nitro-1,2-diphenylethenyl)morpholine
PubChem CID71333011
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-(2-nitro-1,2-diphenylethenyl)morpholine
SMILESO=[N+]([O-])C(=C(c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-20(22)18(16-9-5-2-6-10-16)17(15-7-3-1-4-8-15)19-11-13-23-14-12-19/h1-10H,11-14H2
InChIKeyKDVSIGSSTJQATR-UHFFFAOYSA-N
XLogP3.12
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-nitro-1,2-diphenylethenyl)morpholine?
The IUPAC name of 4-(2-nitro-1,2-diphenylethenyl)morpholine (CID 71333011) is 4-(2-nitro-1,2-diphenylethenyl)morpholine.
What is the SMILES notation for 4-(2-nitro-1,2-diphenylethenyl)morpholine?
The canonical SMILES for 4-(2-nitro-1,2-diphenylethenyl)morpholine is O=[N+]([O-])C(=C(c1ccccc1)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-(2-nitro-1,2-diphenylethenyl)morpholine?
The InChIKey is KDVSIGSSTJQATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-20(22)18(16-9-5-2-6-10-16)17(15-7-3-1-4-8-15)19-11-13-23-14-12-19/h1-10H,11-14H2.
What are the key properties of 4-(2-nitro-1,2-diphenylethenyl)morpholine?
4-(2-nitro-1,2-diphenylethenyl)morpholine has a molecular weight of 310.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitro-1,2-diphenylethenyl)morpholine is sourced from PubChem (CID 71333011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).