[1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane

C10H16N3O2V- — CID 178136126

IUPAC[1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane
SMILESCC.CNC(=O)C(C[NH-])N1C(=O)C=CC1=[V]
InChIInChI=1S/C8H10N3O2.C2H6.V/c1-10-8(13)6(5-9)11-4-2-3-7(11)12;1-2;/h2-3,6,9H,5H2,1H3,(H,10,13);1-2H3;/q-1;;
InChIKeyRTICXKSGHUTMNG-UHFFFAOYSA-N
MW261.20 g/mol
LogP0.25
Rot. Bonds3

About [1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane

[1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane (PubChem CID 178136126) has the molecular formula C10H16N3O2V- and a molecular weight of 261.20 g/mol. Its IUPAC name is [1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane.

Molecular Properties

Compound Name[1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane
PubChem CID178136126
Molecular FormulaC10H16N3O2V-
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name[1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane
SMILESCC.CNC(=O)C(C[NH-])N1C(=O)C=CC1=[V]
InChIInChI=1S/C8H10N3O2.C2H6.V/c1-10-8(13)6(5-9)11-4-2-3-7(11)12;1-2;/h2-3,6,9H,5H2,1H3,(H,10,13);1-2H3;/q-1;;
InChIKeyRTICXKSGHUTMNG-UHFFFAOYSA-N
XLogP0.25
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane?
The IUPAC name of [1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane (CID 178136126) is [1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane.
What is the SMILES notation for [1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane?
The canonical SMILES for [1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane is CC.CNC(=O)C(C[NH-])N1C(=O)C=CC1=[V].
What is the InChIKey of [1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane?
The InChIKey is RTICXKSGHUTMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3O2.C2H6.V/c1-10-8(13)6(5-9)11-4-2-3-7(11)12;1-2;/h2-3,6,9H,5H2,1H3,(H,10,13);1-2H3;/q-1;;.
What are the key properties of [1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane?
[1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane has a molecular weight of 261.20 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-azanidyl-1-(methylamino)-1-oxopropan-2-yl]-5-oxopyrrol-2-ylidene]vanadium;ethane is sourced from PubChem (CID 178136126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).