(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C17H22N2O4 — CID 25193219

IUPAC(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESC#CCN1CC(=O)N(COC(=O)[C@@H]2C(C=C(C)C)C2(C)C)C1=O
InChIInChI=1S/C17H22N2O4/c1-6-7-18-9-13(20)19(16(18)22)10-23-15(21)14-12(8-11(2)3)17(14,4)5/h1,8,12,14H,7,9-10H2,2-5H3/t12?,14-/m0/s1
InChIKeyVPRAQYXPZIFIOH-PYMCNQPYSA-N
MW318.37 g/mol
LogP1.62
Rot. Bonds5

About (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 25193219) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID25193219
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESC#CCN1CC(=O)N(COC(=O)[C@@H]2C(C=C(C)C)C2(C)C)C1=O
InChIInChI=1S/C17H22N2O4/c1-6-7-18-9-13(20)19(16(18)22)10-23-15(21)14-12(8-11(2)3)17(14,4)5/h1,8,12,14H,7,9-10H2,2-5H3/t12?,14-/m0/s1
InChIKeyVPRAQYXPZIFIOH-PYMCNQPYSA-N
XLogP1.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 25193219) is (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is C#CCN1CC(=O)N(COC(=O)[C@@H]2C(C=C(C)C)C2(C)C)C1=O.
What is the InChIKey of (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is VPRAQYXPZIFIOH-PYMCNQPYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-6-7-18-9-13(20)19(16(18)22)10-23-15(21)14-12(8-11(2)3)17(14,4)5/h1,8,12,14H,7,9-10H2,2-5H3/t12?,14-/m0/s1.
What are the key properties of (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 25193219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).