2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride

C24H37ClU — CID 88604658

IUPAC2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride
SMILESC=C([CH2-])C.CC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Cl-].[U+4]
InChIInChI=1S/2C10H15.C4H7.ClH.U/c2*1-7-6-10(4,5)9(3)8(7)2;1-4(2)3;;/h2*1-5H3;1-2H2,3H3;1H;/q3*-1;;+4/p-1
InChIKeyJHLDPAVNQZGACE-UHFFFAOYSA-M
MW599.04 g/mol
LogP4.62
Rot. Bonds

About 2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride

2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride (PubChem CID 88604658) has the molecular formula C24H37ClU and a molecular weight of 599.04 g/mol. Its IUPAC name is 2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride.

Molecular Properties

Compound Name2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride
PubChem CID88604658
Molecular FormulaC24H37ClU
Molecular Weight599.04 g/mol
Exact Mass598.31
IUPAC Name2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride
SMILESC=C([CH2-])C.CC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Cl-].[U+4]
InChIInChI=1S/2C10H15.C4H7.ClH.U/c2*1-7-6-10(4,5)9(3)8(7)2;1-4(2)3;;/h2*1-5H3;1-2H2,3H3;1H;/q3*-1;;+4/p-1
InChIKeyJHLDPAVNQZGACE-UHFFFAOYSA-M
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.04
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride?
The IUPAC name of 2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride (CID 88604658) is 2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride.
What is the SMILES notation for 2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride?
The canonical SMILES for 2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride is C=C([CH2-])C.CC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Cl-].[U+4].
What is the InChIKey of 2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride?
The InChIKey is JHLDPAVNQZGACE-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H15.C4H7.ClH.U/c2*1-7-6-10(4,5)9(3)8(7)2;1-4(2)3;;/h2*1-5H3;1-2H2,3H3;1H;/q3*-1;;+4/p-1.
What are the key properties of 2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride?
2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride has a molecular weight of 599.04 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylprop-1-ene;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);uranium(4+);chloride is sourced from PubChem (CID 88604658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).