4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine

C11H12N2O3 — CID 173213959

IUPAC4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine
SMILESO=[N+]([O-])c1c2cc(N3CCOCC3)cc1C2
InChIInChI=1S/C11H12N2O3/c14-13(15)11-8-5-9(11)7-10(6-8)12-1-3-16-4-2-12/h6-7H,1-5H2
InChIKeyGGSCPWQTQLGQDY-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.34
Rot. Bonds2

About 4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine

4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine (PubChem CID 173213959) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine.

Molecular Properties

Compound Name4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine
PubChem CID173213959
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine
SMILESO=[N+]([O-])c1c2cc(N3CCOCC3)cc1C2
InChIInChI=1S/C11H12N2O3/c14-13(15)11-8-5-9(11)7-10(6-8)12-1-3-16-4-2-12/h6-7H,1-5H2
InChIKeyGGSCPWQTQLGQDY-UHFFFAOYSA-N
XLogP1.34
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.34
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'}

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Related Compounds

4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine
CID 69324522
3-morpholin-4-yl-5-nitrobenzoic acid
CID 59817793
4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine
CID 144594517
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(4-iodo-3-nitrophenyl)morpholine
CID 121330336
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
1-(4-morpholin-4-yl-2-nitrophenyl)ethanone
CID 104529500
4-[3-[(4-methylpiperazin-1-yl)methyl]-5-nitrophenyl]morpholine
CID 69322898
(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol
CID 69320000
4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine
CID 5240655
3-morpholin-4-ylaniline;4-(3-nitrophenyl)morpholine
CID 159730458

Frequently Asked Questions

What is the IUPAC name of 4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine?
The IUPAC name of 4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine (CID 173213959) is 4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine.
What is the SMILES notation for 4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine?
The canonical SMILES for 4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine is O=[N+]([O-])c1c2cc(N3CCOCC3)cc1C2.
What is the InChIKey of 4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine?
The InChIKey is GGSCPWQTQLGQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-13(15)11-8-5-9(11)7-10(6-8)12-1-3-16-4-2-12/h6-7H,1-5H2.
What are the key properties of 4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine?
4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine has a molecular weight of 220.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine is sourced from PubChem (CID 173213959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).