4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one

C11H14N4O4 — CID 79469112

IUPAC4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one
SMILESNNc1ccc(CN2CCOCC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c12-13-9-2-1-8(5-10(9)15(17)18)6-14-3-4-19-7-11(14)16/h1-2,5,13H,3-4,6-7,12H2
InChIKeyPOFXONOCDHOANZ-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.24
Rot. Bonds4

About 4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one

4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one (PubChem CID 79469112) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one
PubChem CID79469112
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one
SMILESNNc1ccc(CN2CCOCC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c12-13-9-2-1-8(5-10(9)15(17)18)6-14-3-4-19-7-11(14)16/h1-2,5,13H,3-4,6-7,12H2
InChIKeyPOFXONOCDHOANZ-UHFFFAOYSA-N
XLogP0.24
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 62245598
[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
CID 62245555
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62244541
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512786
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one
CID 79468522
N-methyl-4-[(3-methylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182937
1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one
CID 62246151
8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769614
2-amino-5-[(3-oxomorpholin-4-yl)methyl]benzoic acid
CID 174520823
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
1-[[4-(ethylamino)-3-nitrophenyl]methyl]azepan-2-one
CID 62208003

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one?
The IUPAC name of 4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one (CID 79469112) is 4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one.
What is the SMILES notation for 4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one?
The canonical SMILES for 4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one is NNc1ccc(CN2CCOCC2=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one?
The InChIKey is POFXONOCDHOANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c12-13-9-2-1-8(5-10(9)15(17)18)6-14-3-4-19-7-11(14)16/h1-2,5,13H,3-4,6-7,12H2.
What are the key properties of 4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one?
4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one has a molecular weight of 266.26 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one is sourced from PubChem (CID 79469112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).