N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine

C20H14N2O2 — CID 18915631

IUPACN-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/CC#Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H14N2O2/c23-22(24)19-11-3-6-16(14-19)15-21-13-5-10-18-9-4-8-17-7-1-2-12-20(17)18/h1-4,6-9,11-12,14-15H,13H2/b21-15+
InChIKeyHSMIYEQZQSZRQM-RCCKNPSSSA-N
MW314.34 g/mol
LogP4.22
Rot. Bonds3

About N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine

N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine (PubChem CID 18915631) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine
PubChem CID18915631
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC NameN-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/CC#Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H14N2O2/c23-22(24)19-11-3-6-16(14-19)15-21-13-5-10-18-9-4-8-17-7-1-2-12-20(17)18/h1-4,6-9,11-12,14-15H,13H2/b21-15+
InChIKeyHSMIYEQZQSZRQM-RCCKNPSSSA-N
XLogP4.22
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-naphthalen-1-ylprop-2-ynyl)-1-phenylmethanimine
CID 18915625
1-(3-nitrophenyl)-N-[8-[(3-nitrophenyl)methylideneamino]octyl]methanimine
CID 139068600
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
N-naphthalen-1-yl-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 4596802
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
1-(3-chlorophenyl)-N-(3-naphthalen-2-ylprop-2-ynyl)methanimine
CID 18915628
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
N-[(3-nitrophenyl)methylidene]benzenesulfonamide
CID 85437032
N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline
CID 2850900
4-methoxy-N-[2-[(3-nitrophenyl)methylideneamino]ethyl]aniline
CID 100940371
1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine
CID 692052
N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine
CID 5105784

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine?
The IUPAC name of N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine (CID 18915631) is N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine.
What is the SMILES notation for N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine?
The canonical SMILES for N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine is O=[N+]([O-])c1cccc(/C=N/CC#Cc2cccc3ccccc23)c1.
What is the InChIKey of N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine?
The InChIKey is HSMIYEQZQSZRQM-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-22(24)19-11-3-6-16(14-19)15-21-13-5-10-18-9-4-8-17-7-1-2-12-20(17)18/h1-4,6-9,11-12,14-15H,13H2/b21-15+.
What are the key properties of N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine?
N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine has a molecular weight of 314.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-nitrophenyl)methanimine is sourced from PubChem (CID 18915631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).