(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide

C11H18N2O2 — CID 14282316

IUPAC(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
SMILESC=C(C)C(=O)N1CCC[C@H]1C(=O)NCC
InChIInChI=1S/C11H18N2O2/c1-4-12-10(14)9-6-5-7-13(9)11(15)8(2)3/h9H,2,4-7H2,1,3H3,(H,12,14)/t9-/m0/s1
InChIKeyIEKRLMKQMMWGCN-VIFPVBQESA-N
MW210.28 g/mol
LogP0.69
Rot. Bonds3

About (2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide

(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide (PubChem CID 14282316) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
PubChem CID14282316
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
SMILESC=C(C)C(=O)N1CCC[C@H]1C(=O)NCC
InChIInChI=1S/C11H18N2O2/c1-4-12-10(14)9-6-5-7-13(9)11(15)8(2)3/h9H,2,4-7H2,1,3H3,(H,12,14)/t9-/m0/s1
InChIKeyIEKRLMKQMMWGCN-VIFPVBQESA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
S-[3-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate
CID 14282330
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514
1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120653066
(2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide
CID 175675318
(2S)-1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 54069364
2-methyl-1-[(2S)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 89291831
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 82503098
1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 71849160
1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 163643584

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide (CID 14282316) is (2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide is C=C(C)C(=O)N1CCC[C@H]1C(=O)NCC.
What is the InChIKey of (2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide?
The InChIKey is IEKRLMKQMMWGCN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-12-10(14)9-6-5-7-13(9)11(15)8(2)3/h9H,2,4-7H2,1,3H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide?
(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 14282316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).