N-[(3-nitrophenyl)methylideneamino]propan-2-imine

C10H11N3O2 — CID 778583

IUPACN-[(3-nitrophenyl)methylideneamino]propan-2-imine
SMILESCC(C)=NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O2/c1-8(2)12-11-7-9-4-3-5-10(6-9)13(14)15/h3-7H,1-2H3
InChIKeyVPBXJVBZUSVEFZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.41
Rot. Bonds3

About N-[(3-nitrophenyl)methylideneamino]propan-2-imine

N-[(3-nitrophenyl)methylideneamino]propan-2-imine (PubChem CID 778583) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methylideneamino]propan-2-imine.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methylideneamino]propan-2-imine
PubChem CID778583
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-[(3-nitrophenyl)methylideneamino]propan-2-imine
SMILESCC(C)=NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O2/c1-8(2)12-11-7-9-4-3-5-10(6-9)13(14)15/h3-7H,1-2H3
InChIKeyVPBXJVBZUSVEFZ-UHFFFAOYSA-N
XLogP2.41
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-nitrophenyl)methylideneamino]propan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine
CID 3664768
3-hydroxy-2-[(E)-C-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]carbonimidoyl]inden-1-one
CID 135848989
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 173008077
2-[(3-nitrophenyl)methylideneamino]propanoic acid
CID 122707222
1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene
CID 11822354
4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 135618942
4-methoxy-2-[(E)-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 135578609
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol
CID 21204190
1-(3-nitrophenyl)-N-[8-[(3-nitrophenyl)methylideneamino]octyl]methanimine
CID 139068600
(Z)-2-methyl-3-(3-nitrophenyl)prop-2-enenitrile
CID 102180856

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methylideneamino]propan-2-imine?
The IUPAC name of N-[(3-nitrophenyl)methylideneamino]propan-2-imine (CID 778583) is N-[(3-nitrophenyl)methylideneamino]propan-2-imine.
What is the SMILES notation for N-[(3-nitrophenyl)methylideneamino]propan-2-imine?
The canonical SMILES for N-[(3-nitrophenyl)methylideneamino]propan-2-imine is CC(C)=NN=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(3-nitrophenyl)methylideneamino]propan-2-imine?
The InChIKey is VPBXJVBZUSVEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-8(2)12-11-7-9-4-3-5-10(6-9)13(14)15/h3-7H,1-2H3.
What are the key properties of N-[(3-nitrophenyl)methylideneamino]propan-2-imine?
N-[(3-nitrophenyl)methylideneamino]propan-2-imine has a molecular weight of 205.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methylideneamino]propan-2-imine is sourced from PubChem (CID 778583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).