N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide

C12H20N4O3 — CID 47070662

IUPACN-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide
SMILESC=CCNC(=O)NC(=O)CN1CCCC1C(=O)NC
InChIInChI=1S/C12H20N4O3/c1-3-6-14-12(19)15-10(17)8-16-7-4-5-9(16)11(18)13-2/h3,9H,1,4-8H2,2H3,(H,13,18)(H2,14,15,17,19)
InChIKeyLDIKUTWBMBBYJN-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.79
Rot. Bonds5

About N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide

N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 47070662) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide
PubChem CID47070662
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide
SMILESC=CCNC(=O)NC(=O)CN1CCCC1C(=O)NC
InChIInChI=1S/C12H20N4O3/c1-3-6-14-12(19)15-10(17)8-16-7-4-5-9(16)11(18)13-2/h3,9H,1,4-8H2,2H3,(H,13,18)(H2,14,15,17,19)
InChIKeyLDIKUTWBMBBYJN-UHFFFAOYSA-N
XLogP-0.79
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Prop-2-en-1-yl)-5-propyl-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
CID 3037984
3-Allyl-5-butyl-2-thioxo-imidazolidin-4-one
CID 2901579
(2S,3S)-N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide
CID 11865820
3-Allyl-5-methylhydantoin
CID 19078753
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 51925872
1-N-cyclohexyl-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
CID 3221237
5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 15991840
5-(2-Methylpropyl)-3-(2-propenyl)-2,4-imidazolidinedione
CID 4905117
(2S,3S)-N-(2-amino-2-oxoethyl)-N-methyl-1-(3-methylbut-2-enoyl)-3-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide
CID 11865821
2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 16317247
N,N-dimethyl-1-[2-(methylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 42926316
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926317

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide (CID 47070662) is N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide is C=CCNC(=O)NC(=O)CN1CCCC1C(=O)NC.
What is the InChIKey of N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is LDIKUTWBMBBYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-6-14-12(19)15-10(17)8-16-7-4-5-9(16)11(18)13-2/h3,9H,1,4-8H2,2H3,(H,13,18)(H2,14,15,17,19).
What are the key properties of N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide?
N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 47070662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).