carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium

C29H30CrN2O7 — CID 135004161

About carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium

carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium (PubChem CID 135004161) has the molecular formula C29H30CrN2O7 and a molecular weight of 570.56 g/mol. Its IUPAC name is carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium.

Molecular Properties

• Compound Name: carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
• PubChem CID: 135004161
• Molecular Formula: C29H30CrN2O7
• Molecular Weight: 570.56 g/mol
• Exact Mass: 570.15
• IUPAC Name: carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium
• SMILES: C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=[Cr])C2=NNC[C@@H]2c2ccco2)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
• InChI: InChI=1S/C24H30N2O2.5CO.Cr/c1-17-11-12-20(24(2,3)18-8-5-4-6-9-18)23(14-17)28-16-21-19(15-25-26-21)22-10-7-13-27-22;5*1-2;/h4-10,13,17,19-20,23,25H,11-12,14-15H2,1-3H3;;;;;;/t17-,19+,20-,23-;;;;;;/m1....../s1
• InChIKey: ISFVTNOGPXXUDM-FAPHXAQPSA-N
• XLogP: 4.61
• TPSA: 146.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.56
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?

The IUPAC name of carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium (CID 135004161) is carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium.

What is the SMILES notation for carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?

The canonical SMILES for carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium is C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=[Cr])C2=NNC[C@@H]2c2ccco2)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].

What is the InChIKey of carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?

The InChIKey is ISFVTNOGPXXUDM-FAPHXAQPSA-N. The full InChI is InChI=1S/C24H30N2O2.5CO.Cr/c1-17-11-12-20(24(2,3)18-8-5-4-6-9-18)23(14-17)28-16-21-19(15-25-26-21)22-10-7-13-27-22;5*1-2;/h4-10,13,17,19-20,23,25H,11-12,14-15H2,1-3H3;;;;;;/t17-,19+,20-,23-;;;;;;/m1....../s1.

What are the key properties of carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium?

carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium has a molecular weight of 570.56 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium is sourced from PubChem (CID 135004161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).