4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine

C11H16N2O3 — CID 151724055

IUPAC4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine
SMILESCC1C=C(N2CCOCC2)C([N+](=O)[O-])=CC1
InChIInChI=1S/C11H16N2O3/c1-9-2-3-10(13(14)15)11(8-9)12-4-6-16-7-5-12/h3,8-9H,2,4-7H2,1H3
InChIKeyRJESBVUOSUMLEH-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.40
Rot. Bonds2

About 4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine

4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine (PubChem CID 151724055) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine
PubChem CID151724055
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine
SMILESCC1C=C(N2CCOCC2)C([N+](=O)[O-])=CC1
InChIInChI=1S/C11H16N2O3/c1-9-2-3-10(13(14)15)11(8-9)12-4-6-16-7-5-12/h3,8-9H,2,4-7H2,1H3
InChIKeyRJESBVUOSUMLEH-UHFFFAOYSA-N
XLogP1.40
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.40
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-(2-nitro-5-propan-2-ylphenyl)morpholine
CID 155136667
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
1-(4-morpholin-4-yl-2-nitrophenyl)ethanone
CID 104529500
5-morpholin-4-yl-2,4-dinitrobenzoic acid
CID 141481199
2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420
4-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]morpholine
CID 9279241
2-morpholin-4-yl-3-nitro-5-propan-2-ylaniline
CID 22752979
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(4-nitro-1,2-thiazol-5-yl)morpholine
CID 71261785
4-(3-methyl-5-nitrothiophen-2-yl)morpholine
CID 11075160
4-(2,3-difluoro-4-nitrophenyl)morpholine
CID 58072318

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine?
The IUPAC name of 4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine (CID 151724055) is 4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine.
What is the SMILES notation for 4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine?
The canonical SMILES for 4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine is CC1C=C(N2CCOCC2)C([N+](=O)[O-])=CC1.
What is the InChIKey of 4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine?
The InChIKey is RJESBVUOSUMLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-9-2-3-10(13(14)15)11(8-9)12-4-6-16-7-5-12/h3,8-9H,2,4-7H2,1H3.
What are the key properties of 4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine?
4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine has a molecular weight of 224.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine is sourced from PubChem (CID 151724055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).