methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate

C11H18N2O3 — CID 123841575

IUPACmethyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESC=CC1CCCN1C(=O)C(C)NC(=O)OC
InChIInChI=1S/C11H18N2O3/c1-4-9-6-5-7-13(9)10(14)8(2)12-11(15)16-3/h4,8-9H,1,5-7H2,2-3H3,(H,12,15)
InChIKeySPZJBVHQKDGEOT-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.91
Rot. Bonds3

About methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate

methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 123841575) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
PubChem CID123841575
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESC=CC1CCCN1C(=O)C(C)NC(=O)OC
InChIInChI=1S/C11H18N2O3/c1-4-9-6-5-7-13(9)10(14)8(2)12-11(15)16-3/h4,8-9H,1,5-7H2,2-3H3,(H,12,15)
InChIKeySPZJBVHQKDGEOT-UHFFFAOYSA-N
XLogP0.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
methyl N-[(2S,3R)-1-(2-formylpyrrolidin-1-yl)-3-methoxy-1-oxobutan-2-yl]carbamate
CID 155093843
methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 18928254
methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 139066167
1-[(2S)-2-ethenylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 134571035
benzyl N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 131632935
tert-butyl N-[1-oxo-1-[2-(2-oxoethyl)pyrrolidin-1-yl]propan-2-yl]carbamate
CID 164676087
methyl N-[1-[2-[[4-[4-(methylamino)phenyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 144739313
1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 102330307
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
CID 45113887
methyl N-[(2S)-1-[(2S)-2-tert-butylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;sulfane
CID 159229738
tert-butyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 3063137

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate (CID 123841575) is methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate is C=CC1CCCN1C(=O)C(C)NC(=O)OC.
What is the InChIKey of methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is SPZJBVHQKDGEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-9-6-5-7-13(9)10(14)8(2)12-11(15)16-3/h4,8-9H,1,5-7H2,2-3H3,(H,12,15).
What are the key properties of methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate?
methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 226.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 123841575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).