(propylamino)methanone;tungsten

C4H7NOW3-2 — CID 176938719

IUPAC(propylamino)methanone;tungsten
SMILES[CH2-]CCN[C-]=O.[W].[W].[W]
InChIInChI=1S/C4H7NO.3W/c1-2-3-5-4-6;;;/h1-3H2,(H,5,6);;;/q-2;;;
InChIKeyITTATMSTQAFULD-UHFFFAOYSA-N
MW636.63 g/mol
LogP-0.14
Rot. Bonds3

About (propylamino)methanone;tungsten

(propylamino)methanone;tungsten (PubChem CID 176938719) has the molecular formula C4H7NOW3-2 and a molecular weight of 636.63 g/mol. Its IUPAC name is (propylamino)methanone;tungsten.

Molecular Properties

Compound Name(propylamino)methanone;tungsten
PubChem CID176938719
Molecular FormulaC4H7NOW3-2
Molecular Weight636.63 g/mol
Exact Mass636.91
IUPAC Name(propylamino)methanone;tungsten
SMILES[CH2-]CCN[C-]=O.[W].[W].[W]
InChIInChI=1S/C4H7NO.3W/c1-2-3-5-4-6;;;/h1-3H2,(H,5,6);;;/q-2;;;
InChIKeyITTATMSTQAFULD-UHFFFAOYSA-N
XLogP-0.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.63
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;ethylaminomethanone;tungsten(2+)
CID 21334677
carbanide;ethane;ethylaminomethanone;methane;bis(yttrium)
CID 158310887
butane;ethanone;tungsten;yttrium
CID 158462675
N-methylpropan-1-amine;yttrium
CID 59057900
potassium;hydroxymethanone;[2-(oxomethylamino)acetyl]azanide;tungsten;yttrium
CID 59171030
potassium;ethanone;[2-(oxomethylamino)acetyl]azanide;tungsten;yttrium
CID 58639684
magnesium;N-methylpropan-1-amine;chloride
CID 87719362
carbanide;N-propylacetamide;tungsten(2+)
CID 21133739
hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium)
CID 161458653
nickel;N-propylpropan-1-amine
CID 155599333
(benzylamino)methanone;iridium
CID 177404919
2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde
CID 168994657

Frequently Asked Questions

What is the IUPAC name of (propylamino)methanone;tungsten?
The IUPAC name of (propylamino)methanone;tungsten (CID 176938719) is (propylamino)methanone;tungsten.
What is the SMILES notation for (propylamino)methanone;tungsten?
The canonical SMILES for (propylamino)methanone;tungsten is [CH2-]CCN[C-]=O.[W].[W].[W].
What is the InChIKey of (propylamino)methanone;tungsten?
The InChIKey is ITTATMSTQAFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.3W/c1-2-3-5-4-6;;;/h1-3H2,(H,5,6);;;/q-2;;;.
What are the key properties of (propylamino)methanone;tungsten?
(propylamino)methanone;tungsten has a molecular weight of 636.63 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (propylamino)methanone;tungsten is sourced from PubChem (CID 176938719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).