ethanimidamide;propan-2-one;vanadium

C5H12N2OV — CID 159949516

IUPACethanimidamide;propan-2-one;vanadium
SMILESCC(C)=O.[H]/N=C(\C)N.[V]
InChIInChI=1S/C3H6O.C2H6N2.V/c1-3(2)4;1-2(3)4;/h1-2H3;1H3,(H3,3,4);
InChIKeyOBXRUBTVSOPWLX-UHFFFAOYSA-N
MW167.11 g/mol
LogP0.54
Rot. Bonds

About ethanimidamide;propan-2-one;vanadium

ethanimidamide;propan-2-one;vanadium (PubChem CID 159949516) has the molecular formula C5H12N2OV and a molecular weight of 167.11 g/mol. Its IUPAC name is ethanimidamide;propan-2-one;vanadium.

Molecular Properties

Compound Nameethanimidamide;propan-2-one;vanadium
PubChem CID159949516
Molecular FormulaC5H12N2OV
Molecular Weight167.11 g/mol
Exact Mass167.04
IUPAC Nameethanimidamide;propan-2-one;vanadium
SMILESCC(C)=O.[H]/N=C(\C)N.[V]
InChIInChI=1S/C3H6O.C2H6N2.V/c1-3(2)4;1-2(3)4;/h1-2H3;1H3,(H3,3,4);
InChIKeyOBXRUBTVSOPWLX-UHFFFAOYSA-N
XLogP0.54
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethanimidamide;propan-2-one;titanium
CID 158445220
cobalt;ethanimidamide
CID 162055614
ethanimidamide;titanium(4+);tetraacetate
CID 158045448
ethanimidamide;guanidine
CID 160661984
ethanimidamide;hydrate;hydrochloride
CID 160733537
ethanimidamide;tetrakis(2-oxopropanoate);titanium(4+)
CID 158288626
cyclopentane;ethanimidamide
CID 158057030
N-(1-amino-1-iminopropan-2-yl)acetamide
CID 172748430
acetamide
CID 139024037
acetamide;tetramethylazanium
CID 87267382
2,4-dioxopentanimidamide
CID 141143667
carbamimidoyl(methyl)azanium acetate
CID 141435217

Frequently Asked Questions

What is the IUPAC name of ethanimidamide;propan-2-one;vanadium?
The IUPAC name of ethanimidamide;propan-2-one;vanadium (CID 159949516) is ethanimidamide;propan-2-one;vanadium.
What is the SMILES notation for ethanimidamide;propan-2-one;vanadium?
The canonical SMILES for ethanimidamide;propan-2-one;vanadium is CC(C)=O.[H]/N=C(\C)N.[V].
What is the InChIKey of ethanimidamide;propan-2-one;vanadium?
The InChIKey is OBXRUBTVSOPWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H6N2.V/c1-3(2)4;1-2(3)4;/h1-2H3;1H3,(H3,3,4);.
What are the key properties of ethanimidamide;propan-2-one;vanadium?
ethanimidamide;propan-2-one;vanadium has a molecular weight of 167.11 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidamide;propan-2-one;vanadium is sourced from PubChem (CID 159949516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).