(4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium

C9H12V — CID 58283638

IUPAC(4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium
SMILESCC(C)C1=CC(C=[V])=CC1
InChIInChI=1S/C9H12.V/c1-7(2)9-5-4-8(3)6-9;/h3-4,6-7H,5H2,1-2H3;
InChIKeyGXNPSYLNJXSNTD-UHFFFAOYSA-N
MW171.14 g/mol
LogP2.25
Rot. Bonds2

About (4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium

(4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium (PubChem CID 58283638) has the molecular formula C9H12V and a molecular weight of 171.14 g/mol. Its IUPAC name is (4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium.

Molecular Properties

Compound Name(4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium
PubChem CID58283638
Molecular FormulaC9H12V
Molecular Weight171.14 g/mol
Exact Mass171.04
IUPAC Name(4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium
SMILESCC(C)C1=CC(C=[V])=CC1
InChIInChI=1S/C9H12.V/c1-7(2)9-5-4-8(3)6-9;/h3-4,6-7H,5H2,1-2H3;
InChIKeyGXNPSYLNJXSNTD-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene
CID 159952981
6-propan-2-yl-1,2,3,7-tetrahydronaphthalene
CID 101316602
1-propan-2-ylcyclohepta-1,3,5-triene
CID 20800714
4-propan-2-ylcyclohepta-3,6-diene-1,2-dione
CID 130031149
6-propan-2-yl-3,7-dihydro-2H-cyclohepta[b]furan
CID 167192777
4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole;oxolane
CID 176685571
tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
5-propan-2-yl-1,4-dihydropyridine-2-carbonitrile
CID 166774800
3-bromo-1-propan-2-ylcyclohexa-1,3-diene
CID 22253898
[phenyl-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)methyl]benzene
CID 123838805
barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
CID 173388440
4,4-dimethyl-1-propan-2-ylcyclohexene;ethane
CID 169162938

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium?
The IUPAC name of (4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium (CID 58283638) is (4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium.
What is the SMILES notation for (4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium?
The canonical SMILES for (4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium is CC(C)C1=CC(C=[V])=CC1.
What is the InChIKey of (4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium?
The InChIKey is GXNPSYLNJXSNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.V/c1-7(2)9-5-4-8(3)6-9;/h3-4,6-7H,5H2,1-2H3;.
What are the key properties of (4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium?
(4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium has a molecular weight of 171.14 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium is sourced from PubChem (CID 58283638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).