carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide

C18H11Co2NO7 — CID 11733398

IUPACcarbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide
SMILESC=CCNC(=O)C#Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C12H11NO.6CO.2Co/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11;6*1-2;;/h2-7H,1,10H2,(H,13,14);;;;;;;;
InChIKeyYEZIZTAQQNRUME-UHFFFAOYSA-N
MW471.15 g/mol
LogP1.11
Rot. Bonds2

About carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide

carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide (PubChem CID 11733398) has the molecular formula C18H11Co2NO7 and a molecular weight of 471.15 g/mol. Its IUPAC name is carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide.

Molecular Properties

Compound Namecarbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide
PubChem CID11733398
Molecular FormulaC18H11Co2NO7
Molecular Weight471.15 g/mol
Exact Mass470.92
IUPAC Namecarbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide
SMILESC=CCNC(=O)C#Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C12H11NO.6CO.2Co/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11;6*1-2;;/h2-7H,1,10H2,(H,13,14);;;;;;;;
InChIKeyYEZIZTAQQNRUME-UHFFFAOYSA-N
XLogP1.11
TPSA148.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide
CID 11805711
N-phenacyl-3-phenylprop-2-ynamide
CID 155676279
methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
N-butyl-3-phenylprop-2-ynamide
CID 141247412
N-(2-hydroxypropyl)-3-phenylprop-2-ynamide
CID 43501186
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide
CID 115362542
N-hexyl-3-phenylprop-2-ynamide
CID 155936824
N-[(4-hydroxyoxan-4-yl)methyl]-3-phenylprop-2-ynamide
CID 79488152
N-[(4-hydroxythian-4-yl)methyl]-3-phenylprop-2-ynamide
CID 111595874
2-[2-(3-phenylprop-2-ynoylamino)phenyl]acetic acid
CID 62534943
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
1,7-diphenylhepta-1,6-diyne-3,5-dione
CID 118147501

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide?
The IUPAC name of carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide (CID 11733398) is carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide.
What is the SMILES notation for carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide?
The canonical SMILES for carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide is C=CCNC(=O)C#Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide?
The InChIKey is YEZIZTAQQNRUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.6CO.2Co/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11;6*1-2;;/h2-7H,1,10H2,(H,13,14);;;;;;;;.
What are the key properties of carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide?
carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide has a molecular weight of 471.15 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide is sourced from PubChem (CID 11733398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).