N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium

C12H12CrN2O3 — CID 10968031

IUPACN-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium
SMILESCN(C)/N=C/c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C9H12N2.3CO.Cr/c1-11(2)10-8-9-6-4-3-5-7-9;3*1-2;/h3-8H,1-2H3;;;;/b10-8+;;;;
InChIKeyONSXPFZCORSPNW-ZMJZFULRSA-N
MW284.24 g/mol
LogP1.47
Rot. Bonds2

About N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium

N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium (PubChem CID 10968031) has the molecular formula C12H12CrN2O3 and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium
PubChem CID10968031
Molecular FormulaC12H12CrN2O3
Molecular Weight284.24 g/mol
Exact Mass284.03
IUPAC NameN-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium
SMILESCN(C)/N=C/c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C9H12N2.3CO.Cr/c1-11(2)10-8-9-6-4-3-5-7-9;3*1-2;/h3-8H,1-2H3;;;;/b10-8+;;;;
InChIKeyONSXPFZCORSPNW-ZMJZFULRSA-N
XLogP1.47
TPSA75.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methanamine, N-(phenylmethylene)-
CID 73954
Ethanamine, N-(phenylmethylene)-
CID 111239
N-methyl-alpha-phenylnitrone
CID 819870
N-Benzylidenepropylamine
CID 250250
Acetophenone, dimethylhydrazone
CID 6172446
Butylamine, N-benzylidene-
CID 296031
(E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide
CID 5919027
O-Methylbenzaldoxime
CID 520653
Benzaldehyde, O-methyloxime
CID 5352920
1-Propanamine, 2-methyl-N-(phenylmethylene)-
CID 11805067
N-(benzylideneamino)methanamine
CID 5875648
(2E)-1,1-Dimethyl-2-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazine
CID 9614267

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium?
The IUPAC name of N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium (CID 10968031) is N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium.
What is the SMILES notation for N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium?
The canonical SMILES for N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium is CN(C)/N=C/c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium?
The InChIKey is ONSXPFZCORSPNW-ZMJZFULRSA-N. The full InChI is InChI=1S/C9H12N2.3CO.Cr/c1-11(2)10-8-9-6-4-3-5-7-9;3*1-2;/h3-8H,1-2H3;;;;/b10-8+;;;;.
What are the key properties of N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium?
N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium has a molecular weight of 284.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-N-methylmethanamine;carbon monoxide;chromium is sourced from PubChem (CID 10968031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).