(2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide

C16H24N2O3 — CID 89378051

IUPAC(2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide
SMILESC=C(C)C(=O)N1CC=C[C@@H]1C(=O)N(C)C(C=O)CC(C)C
InChIInChI=1S/C16H24N2O3/c1-11(2)9-13(10-19)17(5)16(21)14-7-6-8-18(14)15(20)12(3)4/h6-7,10-11,13-14H,3,8-9H2,1-2,4-5H3/t13?,14-/m1/s1
InChIKeyNBYYGXAOEKUUJR-ARLHGKGLSA-N
MW292.38 g/mol
LogP1.40
Rot. Bonds6

About (2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide

(2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide (PubChem CID 89378051) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide
PubChem CID89378051
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide
SMILESC=C(C)C(=O)N1CC=C[C@@H]1C(=O)N(C)C(C=O)CC(C)C
InChIInChI=1S/C16H24N2O3/c1-11(2)9-13(10-19)17(5)16(21)14-7-6-8-18(14)15(20)12(3)4/h6-7,10-11,13-14H,3,8-9H2,1-2,4-5H3/t13?,14-/m1/s1
InChIKeyNBYYGXAOEKUUJR-ARLHGKGLSA-N
XLogP1.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide (CID 89378051) is (2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide is C=C(C)C(=O)N1CC=C[C@@H]1C(=O)N(C)C(C=O)CC(C)C.
What is the InChIKey of (2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is NBYYGXAOEKUUJR-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)9-13(10-19)17(5)16(21)14-7-6-8-18(14)15(20)12(3)4/h6-7,10-11,13-14H,3,8-9H2,1-2,4-5H3/t13?,14-/m1/s1.
What are the key properties of (2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide?
(2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-(4-methyl-1-oxopentan-2-yl)-1-(2-methylprop-2-enoyl)-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 89378051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).