methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate

C10H16N2O3 — CID 144634493

IUPACmethyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate
SMILESC=C[C@H](NC(=O)OC)C(=O)N1CCCC1
InChIInChI=1S/C10H16N2O3/c1-3-8(11-10(14)15-2)9(13)12-6-4-5-7-12/h3,8H,1,4-7H2,2H3,(H,11,14)/t8-/m0/s1
InChIKeyVPPNVSVLANCYCK-QMMMGPOBSA-N
MW212.25 g/mol
LogP0.52
Rot. Bonds3

About methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate

methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate (PubChem CID 144634493) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate
PubChem CID144634493
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate
SMILESC=C[C@H](NC(=O)OC)C(=O)N1CCCC1
InChIInChI=1S/C10H16N2O3/c1-3-8(11-10(14)15-2)9(13)12-6-4-5-7-12/h3,8H,1,4-7H2,2H3,(H,11,14)/t8-/m0/s1
InChIKeyVPPNVSVLANCYCK-QMMMGPOBSA-N
XLogP0.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.52
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

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methyl N-[(2S)-1-amino-1-oxobutan-2-yl]-N-prop-2-enylcarbamate
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methyl N-[(2S)-1-[(2R)-2-iodo-4-methylidenepyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 68091330
methyl N-[(2S)-3-methyl-1-(2-methyl-4-methylidenepyrrolidin-1-yl)-1-oxobutan-2-yl]carbamate
CID 68100634
methyl N-[3-methyl-1-oxo-1-[2-[(E)-prop-1-enyl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 69628533
N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide
CID 70194984
methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 71684097
methyl N-(1-amino-1-oxobutan-2-yl)-N-prop-2-enylcarbamate
CID 74426900
methyl N-[3-methyl-1-oxo-1-(2-prop-1-enylpyrrolidin-1-yl)butan-2-yl]carbamate
CID 77712097
methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
CID 78149244
2-methylpropyl N-[(2S)-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]carbamate
CID 87453390
[1-[Methyl(pent-4-enyl)amino]-1-oxopropan-2-yl]carbamic acid
CID 88232111

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate (CID 144634493) is methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate is C=C[C@H](NC(=O)OC)C(=O)N1CCCC1.
What is the InChIKey of methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate?
The InChIKey is VPPNVSVLANCYCK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-8(11-10(14)15-2)9(13)12-6-4-5-7-12/h3,8H,1,4-7H2,2H3,(H,11,14)/t8-/m0/s1.
What are the key properties of methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate?
methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate has a molecular weight of 212.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-oxo-1-pyrrolidin-1-ylbut-3-en-2-yl]carbamate is sourced from PubChem (CID 144634493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).