(1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium

C12H15NV — CID 59722754

IUPAC(1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium
SMILESCc1ccc2c(c1)C(C)N(C)C(=[V])C2
InChIInChI=1S/C12H15N.V/c1-9-4-5-11-6-7-13(3)10(2)12(11)8-9;/h4-5,8,10H,6H2,1-3H3;
InChIKeyHVGBYXZWANXTER-UHFFFAOYSA-N
MW224.20 g/mol
LogP2.22
Rot. Bonds

About (1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium

(1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium (PubChem CID 59722754) has the molecular formula C12H15NV and a molecular weight of 224.20 g/mol. Its IUPAC name is (1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium.

Molecular Properties

Compound Name(1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium
PubChem CID59722754
Molecular FormulaC12H15NV
Molecular Weight224.20 g/mol
Exact Mass224.06
IUPAC Name(1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium
SMILESCc1ccc2c(c1)C(C)N(C)C(=[V])C2
InChIInChI=1S/C12H15N.V/c1-9-4-5-11-6-7-13(3)10(2)12(11)8-9;/h4-5,8,10H,6H2,1-3H3;
InChIKeyHVGBYXZWANXTER-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium?
The IUPAC name of (1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium (CID 59722754) is (1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium.
What is the SMILES notation for (1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium?
The canonical SMILES for (1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium is Cc1ccc2c(c1)C(C)N(C)C(=[V])C2.
What is the InChIKey of (1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium?
The InChIKey is HVGBYXZWANXTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.V/c1-9-4-5-11-6-7-13(3)10(2)12(11)8-9;/h4-5,8,10H,6H2,1-3H3;.
What are the key properties of (1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium?
(1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium has a molecular weight of 224.20 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,7-trimethyl-1,4-dihydroisoquinolin-3-ylidene)vanadium is sourced from PubChem (CID 59722754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).