methanimine;(2-nitrophenyl)-phenylmethanone

C14H12N2O3 — CID 174799548

IUPACmethanimine;(2-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1[N+](=O)[O-].[H]N=C
InChIInChI=1S/C13H9NO3.CH3N/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-2/h1-9H;2H,1H2
InChIKeyDNFZCIWVUWXQGB-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.09
Rot. Bonds3

About methanimine;(2-nitrophenyl)-phenylmethanone

methanimine;(2-nitrophenyl)-phenylmethanone (PubChem CID 174799548) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is methanimine;(2-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Namemethanimine;(2-nitrophenyl)-phenylmethanone
PubChem CID174799548
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Namemethanimine;(2-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1[N+](=O)[O-].[H]N=C
InChIInChI=1S/C13H9NO3.CH3N/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-2/h1-9H;2H,1H2
InChIKeyDNFZCIWVUWXQGB-UHFFFAOYSA-N
XLogP3.09
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
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'}

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Related Compounds

acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
isothiocyanic acid;(2-nitrophenyl)-phenylmethanone
CID 174455888
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
CID 174984132
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
CID 174848251
acetonitrile;(2-nitrophenyl)-phenylmethanone
CID 161021421
(2-nitrophenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 174458714
(2-nitrophenyl)-phenylmethanone;1H-pyrazole
CID 161134312
(2-nitrophenyl)-phenylmethanone;propan-1-amine
CID 20502317
(2-nitrophenyl)-phenylmethanone;3-prop-2-ynoxyprop-1-yne
CID 174938163
ethyl carbamate;(2-nitrophenyl)-phenylmethanone
CID 162206932

Frequently Asked Questions

What is the IUPAC name of methanimine;(2-nitrophenyl)-phenylmethanone?
The IUPAC name of methanimine;(2-nitrophenyl)-phenylmethanone (CID 174799548) is methanimine;(2-nitrophenyl)-phenylmethanone.
What is the SMILES notation for methanimine;(2-nitrophenyl)-phenylmethanone?
The canonical SMILES for methanimine;(2-nitrophenyl)-phenylmethanone is O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].[H]N=C.
What is the InChIKey of methanimine;(2-nitrophenyl)-phenylmethanone?
The InChIKey is DNFZCIWVUWXQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3.CH3N/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-2/h1-9H;2H,1H2.
What are the key properties of methanimine;(2-nitrophenyl)-phenylmethanone?
methanimine;(2-nitrophenyl)-phenylmethanone has a molecular weight of 256.26 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;(2-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 174799548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).