4-aminobutan-2-one;zinc

C4H8NOZn- — CID 163742307

IUPAC4-aminobutan-2-one;zinc
SMILES[CH2-]C(=O)CCN.[Zn]
InChIInChI=1S/C4H8NO.Zn/c1-4(6)2-3-5;/h1-3,5H2;/q-1;
InChIKeyVVXJACZDYQMDGA-UHFFFAOYSA-N
MW151.50 g/mol
LogP-0.26
Rot. Bonds2

About 4-aminobutan-2-one;zinc

4-aminobutan-2-one;zinc (PubChem CID 163742307) has the molecular formula C4H8NOZn- and a molecular weight of 151.50 g/mol. Its IUPAC name is 4-aminobutan-2-one;zinc.

Molecular Properties

Compound Name4-aminobutan-2-one;zinc
PubChem CID163742307
Molecular FormulaC4H8NOZn-
Molecular Weight151.50 g/mol
Exact Mass149.99
IUPAC Name4-aminobutan-2-one;zinc
SMILES[CH2-]C(=O)CCN.[Zn]
InChIInChI=1S/C4H8NO.Zn/c1-4(6)2-3-5;/h1-3,5H2;/q-1;
InChIKeyVVXJACZDYQMDGA-UHFFFAOYSA-N
XLogP-0.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.50
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;ethane-1,2-diamine
CID 22445535
carbonic acid;tris(ethane-1,2-diamine)
CID 173023593
carbonic acid;bis(ethane-1,2-diamine)
CID 174908365
acetic acid;copper;ethane-1,2-diamine
CID 155386634
3-(15N)azanyl(113C)propanoic acid
CID 11366951
bis(butanedioic acid);ethane-1,2-diamine;zinc
CID 173009719
CID 87057822
CID 87057822
3-aminopropanoyl fluoride
CID 141326128
3-aminopropanoyl chloride
CID 11217318
2-(3-aminopropanoyl)propanedioic acid
CID 172844038
azanium 3-aminopropanoate
CID 156782733
zinc bis(3-aminopropanoate)
CID 87686720

Frequently Asked Questions

What is the IUPAC name of 4-aminobutan-2-one;zinc?
The IUPAC name of 4-aminobutan-2-one;zinc (CID 163742307) is 4-aminobutan-2-one;zinc.
What is the SMILES notation for 4-aminobutan-2-one;zinc?
The canonical SMILES for 4-aminobutan-2-one;zinc is [CH2-]C(=O)CCN.[Zn].
What is the InChIKey of 4-aminobutan-2-one;zinc?
The InChIKey is VVXJACZDYQMDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO.Zn/c1-4(6)2-3-5;/h1-3,5H2;/q-1;.
What are the key properties of 4-aminobutan-2-one;zinc?
4-aminobutan-2-one;zinc has a molecular weight of 151.50 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutan-2-one;zinc is sourced from PubChem (CID 163742307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).