4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile

C12H13N5O4 — CID 115937240

IUPAC4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cccc([N+](=O)[O-])c2NN)CCO1
InChIInChI=1S/C12H13N5O4/c13-6-8-7-16(4-5-21-8)12(18)9-2-1-3-10(17(19)20)11(9)15-14/h1-3,8,15H,4-5,7,14H2
InChIKeyHBPAPQMTRINCLB-UHFFFAOYSA-N
MW291.27 g/mol
LogP0.24
Rot. Bonds3

About 4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile

4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile (PubChem CID 115937240) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile
PubChem CID115937240
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cccc([N+](=O)[O-])c2NN)CCO1
InChIInChI=1S/C12H13N5O4/c13-6-8-7-16(4-5-21-8)12(18)9-2-1-3-10(17(19)20)11(9)15-14/h1-3,8,15H,4-5,7,14H2
InChIKeyHBPAPQMTRINCLB-UHFFFAOYSA-N
XLogP0.24
TPSA134.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-[2-(methylamino)-3-nitrobenzoyl]morpholine-2-carbonitrile
CID 115936878
4-(2-amino-3-nitrobenzoyl)morpholine-2-carbonitrile
CID 115678992
4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile
CID 79675907
[2-(methylamino)-3-nitrophenyl]-(2-methylmorpholin-4-yl)methanone
CID 115936406
(2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 115937034
4-(2-chloro-4-nitrobenzoyl)morpholine-2-carbonitrile
CID 78945982
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716
4-(4-hydrazinylpyridine-3-carbonyl)morpholine-2-carbonitrile
CID 81249144
(3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone
CID 115937192
4-(2-amino-3-chloro-5-nitrobenzoyl)morpholine-2-carbonitrile
CID 107200674
(2-hydrazinyl-3-nitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 115936951
2-cyano-N-(3-nitrophenyl)morpholine-4-carboxamide
CID 78946196

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile (CID 115937240) is 4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cccc([N+](=O)[O-])c2NN)CCO1.
What is the InChIKey of 4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile?
The InChIKey is HBPAPQMTRINCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c13-6-8-7-16(4-5-21-8)12(18)9-2-1-3-10(17(19)20)11(9)15-14/h1-3,8,15H,4-5,7,14H2.
What are the key properties of 4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile?
4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile has a molecular weight of 291.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 115937240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).