(3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione

C15H24N2O2 — CID 59288090

IUPAC(3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione
SMILESC=CCN(C)[C@@]1(CC=C)C(=O)[C@@H](C(C)C)N(C)C1=O
InChIInChI=1S/C15H24N2O2/c1-7-9-15(16(5)10-8-2)13(18)12(11(3)4)17(6)14(15)19/h7-8,11-12H,1-2,9-10H2,3-6H3/t12-,15+/m1/s1
InChIKeySCQBBINDPJQJBA-DOMZBBRYSA-N
MW264.37 g/mol
LogP1.48
Rot. Bonds6

About (3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione

(3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione (PubChem CID 59288090) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name(3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione
PubChem CID59288090
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione
SMILESC=CCN(C)[C@@]1(CC=C)C(=O)[C@@H](C(C)C)N(C)C1=O
InChIInChI=1S/C15H24N2O2/c1-7-9-15(16(5)10-8-2)13(18)12(11(3)4)17(6)14(15)19/h7-8,11-12H,1-2,9-10H2,3-6H3/t12-,15+/m1/s1
InChIKeySCQBBINDPJQJBA-DOMZBBRYSA-N
XLogP1.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione?
The IUPAC name of (3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione (CID 59288090) is (3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione.
What is the SMILES notation for (3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione?
The canonical SMILES for (3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione is C=CCN(C)[C@@]1(CC=C)C(=O)[C@@H](C(C)C)N(C)C1=O.
What is the InChIKey of (3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione?
The InChIKey is SCQBBINDPJQJBA-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-7-9-15(16(5)10-8-2)13(18)12(11(3)4)17(6)14(15)19/h7-8,11-12H,1-2,9-10H2,3-6H3/t12-,15+/m1/s1.
What are the key properties of (3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione?
(3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione has a molecular weight of 264.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-methyl-3-[methyl(prop-2-enyl)amino]-5-propan-2-yl-3-prop-2-enylpyrrolidine-2,4-dione is sourced from PubChem (CID 59288090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).