methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium

C14H27N2V+ — CID 159703194

IUPACmethane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium
SMILESC.C.C.CN1C=CCC1=CC1=[N+](C)C=CC1.[V]
InChIInChI=1S/C11H15N2.3CH4.V/c1-12-7-3-5-10(12)9-11-6-4-8-13(11)2;;;;/h3-4,7-9H,5-6H2,1-2H3;3*1H4;/q+1;;;;
InChIKeyXHJYRFXYWSCZFX-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.63
Rot. Bonds1

About methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium

methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium (PubChem CID 159703194) has the molecular formula C14H27N2V+ and a molecular weight of 274.33 g/mol. Its IUPAC name is methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium.

Molecular Properties

Compound Namemethane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium
PubChem CID159703194
Molecular FormulaC14H27N2V+
Molecular Weight274.33 g/mol
Exact Mass274.16
IUPAC Namemethane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium
SMILESC.C.C.CN1C=CCC1=CC1=[N+](C)C=CC1.[V]
InChIInChI=1S/C11H15N2.3CH4.V/c1-12-7-3-5-10(12)9-11-6-4-8-13(11)2;;;;/h3-4,7-9H,5-6H2,1-2H3;3*1H4;/q+1;;;;
InChIKeyXHJYRFXYWSCZFX-UHFFFAOYSA-N
XLogP3.63
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[(E)-4-(1-methyl-2,3-dihydropyrrol-2-yl)but-1-enyl]-3H-pyrrol-1-ium
CID 20665825
1,3,3-Trimethyl-2-[3-(1,3,3-trimethylpyrrol-1-ium-2-yl)prop-2-enylidene]pyrrole
CID 54356798
1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole
CID 59893251
1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole
CID 59893301
1,3,3-Trimethyl-2-[5-(1,3,3-trimethylpyrrol-1-ium-2-yl)penta-2,4-dienylidene]pyrrole
CID 59908601
(2Z,6Z)-4-N,5-N-bis(ethenyl)octa-2,6-diene-4,5-diimine
CID 117674642
(Z)-2-ethenylimino-N,N-dimethylpent-3-en-1-amine
CID 132156024
(Z)-N,N-dimethyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethenamine
CID 137503997
(2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine
CID 138657567
ethane;(2Z)-1-ethenyl-2-ethylidene-3,6-dimethylpyrazine;methane
CID 141771480
2-methyl-3H-pyrrole;5-methyl-2H-pyrrole
CID 157471323
(3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine
CID 166959142

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium?
The IUPAC name of methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium (CID 159703194) is methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium.
What is the SMILES notation for methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium?
The canonical SMILES for methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium is C.C.C.CN1C=CCC1=CC1=[N+](C)C=CC1.[V].
What is the InChIKey of methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium?
The InChIKey is XHJYRFXYWSCZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2.3CH4.V/c1-12-7-3-5-10(12)9-11-6-4-8-13(11)2;;;;/h3-4,7-9H,5-6H2,1-2H3;3*1H4;/q+1;;;;.
What are the key properties of methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium?
methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium has a molecular weight of 274.33 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole;vanadium is sourced from PubChem (CID 159703194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).