carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide

C13H13CrNO4 — CID 14362564

IUPACcarbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide
SMILESCC(=O)N[C@H](C)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H13NO.3CO.Cr/c1-8(11-9(2)12)10-6-4-3-5-7-10;3*1-2;/h3-8H,1-2H3,(H,11,12);;;;/t8-;;;;/m1..../s1
InChIKeyNNYDCQLLBVXSBN-XWCOYVICSA-N
MW299.25 g/mol
LogP1.77
Rot. Bonds2

About carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide

carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide (PubChem CID 14362564) has the molecular formula C13H13CrNO4 and a molecular weight of 299.25 g/mol. Its IUPAC name is carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Namecarbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide
PubChem CID14362564
Molecular FormulaC13H13CrNO4
Molecular Weight299.25 g/mol
Exact Mass299.02
IUPAC Namecarbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide
SMILESCC(=O)N[C@H](C)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H13NO.3CO.Cr/c1-8(11-9(2)12)10-6-4-3-5-7-10;3*1-2;/h3-8H,1-2H3,(H,11,12);;;;/t8-;;;;/m1..../s1
InChIKeyNNYDCQLLBVXSBN-XWCOYVICSA-N
XLogP1.77
TPSA88.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.77
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'}

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Related Compounds

1-(1-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910190
ethane;N-(1-phenylethyl)prop-1-en-2-amine
CID 142973313
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
N'-[(1R)-1-phenylethyl]acetohydrazide
CID 134953253
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
(2S,3S)-2-methyl-3-(1-phenylethylamino)butanoic acid
CID 70280028
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide (CID 14362564) is carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide is CC(=O)N[C@H](C)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is NNYDCQLLBVXSBN-XWCOYVICSA-N. The full InChI is InChI=1S/C10H13NO.3CO.Cr/c1-8(11-9(2)12)10-6-4-3-5-7-10;3*1-2;/h3-8H,1-2H3,(H,11,12);;;;/t8-;;;;/m1..../s1.
What are the key properties of carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide?
carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 299.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 14362564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).