aniline;carbon monoxide;chromium

C9H7CrNO3 — CID 14046727

IUPACaniline;carbon monoxide;chromium
SMILESNc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C6H7N.3CO.Cr/c7-6-4-2-1-3-5-6;3*1-2;/h1-5H,7H2;;;;
InChIKeyGTBALQYIHQCPIJ-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.15
Rot. Bonds

About aniline;carbon monoxide;chromium

aniline;carbon monoxide;chromium (PubChem CID 14046727) has the molecular formula C9H7CrNO3 and a molecular weight of 229.16 g/mol. Its IUPAC name is aniline;carbon monoxide;chromium.

Molecular Properties

Compound Nameaniline;carbon monoxide;chromium
PubChem CID14046727
Molecular FormulaC9H7CrNO3
Molecular Weight229.16 g/mol
Exact Mass228.98
IUPAC Nameaniline;carbon monoxide;chromium
SMILESNc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C6H7N.3CO.Cr/c7-6-4-2-1-3-5-6;3*1-2;/h1-5H,7H2;;;;
InChIKeyGTBALQYIHQCPIJ-UHFFFAOYSA-N
XLogP1.15
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aniline;carbon monoxide;chromium?
The IUPAC name of aniline;carbon monoxide;chromium (CID 14046727) is aniline;carbon monoxide;chromium.
What is the SMILES notation for aniline;carbon monoxide;chromium?
The canonical SMILES for aniline;carbon monoxide;chromium is Nc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of aniline;carbon monoxide;chromium?
The InChIKey is GTBALQYIHQCPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.3CO.Cr/c7-6-4-2-1-3-5-6;3*1-2;/h1-5H,7H2;;;;.
What are the key properties of aniline;carbon monoxide;chromium?
aniline;carbon monoxide;chromium has a molecular weight of 229.16 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;carbon monoxide;chromium is sourced from PubChem (CID 14046727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).