tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate

C16H24N2O5 — CID 23559959

IUPACtert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(/C=C1/CCOC1=O)CC1CCNC1=O
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(21)18-12(8-10-4-6-17-13(10)19)9-11-5-7-22-14(11)20/h9-10,12H,4-8H2,1-3H3,(H,17,19)(H,18,21)/b11-9-
InChIKeyQFCLRHPNWKIJPI-LUAWRHEFSA-N
MW324.38 g/mol
LogP1.28
Rot. Bonds4

About tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate

tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate (PubChem CID 23559959) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate
PubChem CID23559959
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Nametert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(/C=C1/CCOC1=O)CC1CCNC1=O
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(21)18-12(8-10-4-6-17-13(10)19)9-11-5-7-22-14(11)20/h9-10,12H,4-8H2,1-3H3,(H,17,19)(H,18,21)/b11-9-
InChIKeyQFCLRHPNWKIJPI-LUAWRHEFSA-N
XLogP1.28
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1E,2S)-4-methyl-1-(2-oxooxolan-3-ylidene)pentan-2-yl]carbamate
CID 71812869
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoic acid
CID 91506525
ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;methane
CID 157472085
tert-butyl N-[(2S)-3,4,4-trihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamate
CID 166936770
ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 142046248
tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
CID 167238360
tert-butyl N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-en-2-yl]carbamate
CID 162695922
tert-butyl N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]carbamate
CID 166157042
tert-butyl N-[(2S)-1-hydroxy-3-(2-oxopyrrolidin-3-ylidene)propan-2-yl]carbamate
CID 91300404
tert-butyl N-[(2S,3E)-1-hydroxy-3-(2-oxopyrrolidin-3-ylidene)propan-2-yl]carbamate
CID 10945048
tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate
CID 157044319
tert-butyl N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl]carbamate
CID 166170476

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate (CID 23559959) is tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(/C=C1/CCOC1=O)CC1CCNC1=O.
What is the InChIKey of tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate?
The InChIKey is QFCLRHPNWKIJPI-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-16(2,3)23-15(21)18-12(8-10-4-6-17-13(10)19)9-11-5-7-22-14(11)20/h9-10,12H,4-8H2,1-3H3,(H,17,19)(H,18,21)/b11-9-.
What are the key properties of tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate?
tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1Z)-1-(2-oxooxolan-3-ylidene)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 23559959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).