[(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium

C7H10NV- — CID 58794233

IUPAC[(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium
SMILES[H]/[C-]=N/C=C\C(=[V])C(C)C
InChIInChI=1S/C7H10N.V/c1-7(2)5-4-6-8-3;/h3-4,6-7H,1-2H3;/q-1;/b6-4-;
InChIKeyMSQNVRDJNACHAX-YHSAGPEESA-N
MW159.11 g/mol
LogP1.45
Rot. Bonds3

About [(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium

[(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium (PubChem CID 58794233) has the molecular formula C7H10NV- and a molecular weight of 159.11 g/mol. Its IUPAC name is [(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium.

Molecular Properties

Compound Name[(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium
PubChem CID58794233
Molecular FormulaC7H10NV-
Molecular Weight159.11 g/mol
Exact Mass159.03
IUPAC Name[(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium
SMILES[H]/[C-]=N/C=C\C(=[V])C(C)C
InChIInChI=1S/C7H10N.V/c1-7(2)5-4-6-8-3;/h3-4,6-7H,1-2H3;/q-1;/b6-4-;
InChIKeyMSQNVRDJNACHAX-YHSAGPEESA-N
XLogP1.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.11
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium?
The IUPAC name of [(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium (CID 58794233) is [(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium.
What is the SMILES notation for [(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium?
The canonical SMILES for [(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium is [H]/[C-]=N/C=C\C(=[V])C(C)C.
What is the InChIKey of [(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium?
The InChIKey is MSQNVRDJNACHAX-YHSAGPEESA-N. The full InChI is InChI=1S/C7H10N.V/c1-7(2)5-4-6-8-3;/h3-4,6-7H,1-2H3;/q-1;/b6-4-;.
What are the key properties of [(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium?
[(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium has a molecular weight of 159.11 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium is sourced from PubChem (CID 58794233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).