1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione

C29H24N2O2 — CID 67259157

IUPAC1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione
SMILESC=CCC1(CC=C)C(=O)N(c2ccc3ccccc3c2)N(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C29H24N2O2/c1-3-17-29(18-4-2)27(32)30(25-15-13-21-9-5-7-11-23(21)19-25)31(28(29)33)26-16-14-22-10-6-8-12-24(22)20-26/h3-16,19-20H,1-2,17-18H2
InChIKeyYHHZNMMACJVJAM-UHFFFAOYSA-N
MW432.52 g/mol
LogP6.43
Rot. Bonds6

About 1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione

1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione (PubChem CID 67259157) has the molecular formula C29H24N2O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione
PubChem CID67259157
Molecular FormulaC29H24N2O2
Molecular Weight432.52 g/mol
Exact Mass432.18
IUPAC Name1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione
SMILESC=CCC1(CC=C)C(=O)N(c2ccc3ccccc3c2)N(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C29H24N2O2/c1-3-17-29(18-4-2)27(32)30(25-15-13-21-9-5-7-11-23(21)19-25)31(28(29)33)26-16-14-22-10-6-8-12-24(22)20-26/h3-16,19-20H,1-2,17-18H2
InChIKeyYHHZNMMACJVJAM-UHFFFAOYSA-N
XLogP6.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione?
The IUPAC name of 1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione (CID 67259157) is 1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione.
What is the SMILES notation for 1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione?
The canonical SMILES for 1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione is C=CCC1(CC=C)C(=O)N(c2ccc3ccccc3c2)N(c2ccc3ccccc3c2)C1=O.
What is the InChIKey of 1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione?
The InChIKey is YHHZNMMACJVJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2/c1-3-17-29(18-4-2)27(32)30(25-15-13-21-9-5-7-11-23(21)19-25)31(28(29)33)26-16-14-22-10-6-8-12-24(22)20-26/h3-16,19-20H,1-2,17-18H2.
What are the key properties of 1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione?
1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione has a molecular weight of 432.52 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dinaphthalen-2-yl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione is sourced from PubChem (CID 67259157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).