chromium;cyclopenta-1,3-diene;formaldehyde

C7H9CrO2- — CID 88762520

IUPACchromium;cyclopenta-1,3-diene;formaldehyde
SMILESC=O.C=O.[C-]1=CC=CC1.[Cr]
InChIInChI=1S/C5H5.2CH2O.Cr/c1-2-4-5-3-1;2*1-2;/h1-3H,4H2;2*1H2;/q-1;;;
InChIKeySAEVNDGDZXAUKU-UHFFFAOYSA-N
MW177.14 g/mol
LogP0.93
Rot. Bonds

About chromium;cyclopenta-1,3-diene;formaldehyde

chromium;cyclopenta-1,3-diene;formaldehyde (PubChem CID 88762520) has the molecular formula C7H9CrO2- and a molecular weight of 177.14 g/mol. Its IUPAC name is chromium;cyclopenta-1,3-diene;formaldehyde.

Molecular Properties

Compound Namechromium;cyclopenta-1,3-diene;formaldehyde
PubChem CID88762520
Molecular FormulaC7H9CrO2-
Molecular Weight177.14 g/mol
Exact Mass177.00
IUPAC Namechromium;cyclopenta-1,3-diene;formaldehyde
SMILESC=O.C=O.[C-]1=CC=CC1.[Cr]
InChIInChI=1S/C5H5.2CH2O.Cr/c1-2-4-5-3-1;2*1-2;/h1-3H,4H2;2*1H2;/q-1;;;
InChIKeySAEVNDGDZXAUKU-UHFFFAOYSA-N
XLogP0.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.14
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chromium;cyclopenta-1,3-diene;formaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chromium;cyclopenta-1,3-diene;formaldehyde?
The IUPAC name of chromium;cyclopenta-1,3-diene;formaldehyde (CID 88762520) is chromium;cyclopenta-1,3-diene;formaldehyde.
What is the SMILES notation for chromium;cyclopenta-1,3-diene;formaldehyde?
The canonical SMILES for chromium;cyclopenta-1,3-diene;formaldehyde is C=O.C=O.[C-]1=CC=CC1.[Cr].
What is the InChIKey of chromium;cyclopenta-1,3-diene;formaldehyde?
The InChIKey is SAEVNDGDZXAUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2CH2O.Cr/c1-2-4-5-3-1;2*1-2;/h1-3H,4H2;2*1H2;/q-1;;;.
What are the key properties of chromium;cyclopenta-1,3-diene;formaldehyde?
chromium;cyclopenta-1,3-diene;formaldehyde has a molecular weight of 177.14 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;cyclopenta-1,3-diene;formaldehyde is sourced from PubChem (CID 88762520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).