(5-oxopyrrolidin-3-yl) carbamate

C5H8N2O3 — CID 129017556

IUPAC(5-oxopyrrolidin-3-yl) carbamate
SMILESNC(=O)OC1CNC(=O)C1
InChIInChI=1S/C5H8N2O3/c6-5(9)10-3-1-4(8)7-2-3/h3H,1-2H2,(H2,6,9)(H,7,8)
InChIKeyVPLCCRIQBPFTMK-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.03
Rot. Bonds1

About (5-oxopyrrolidin-3-yl) carbamate

(5-oxopyrrolidin-3-yl) carbamate (PubChem CID 129017556) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is (5-oxopyrrolidin-3-yl) carbamate.

Molecular Properties

Compound Name(5-oxopyrrolidin-3-yl) carbamate
PubChem CID129017556
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name(5-oxopyrrolidin-3-yl) carbamate
SMILESNC(=O)OC1CNC(=O)C1
InChIInChI=1S/C5H8N2O3/c6-5(9)10-3-1-4(8)7-2-3/h3H,1-2H2,(H2,6,9)(H,7,8)
InChIKeyVPLCCRIQBPFTMK-UHFFFAOYSA-N
XLogP-1.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22076511
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CID 54294502
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CID 57781806
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CID 58333487
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CID 58333574
CID 58333574
CID 59994660
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CID 66744415
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CID 66744416
CID 66744416

Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-3-yl) carbamate?
The IUPAC name of (5-oxopyrrolidin-3-yl) carbamate (CID 129017556) is (5-oxopyrrolidin-3-yl) carbamate.
What is the SMILES notation for (5-oxopyrrolidin-3-yl) carbamate?
The canonical SMILES for (5-oxopyrrolidin-3-yl) carbamate is NC(=O)OC1CNC(=O)C1.
What is the InChIKey of (5-oxopyrrolidin-3-yl) carbamate?
The InChIKey is VPLCCRIQBPFTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c6-5(9)10-3-1-4(8)7-2-3/h3H,1-2H2,(H2,6,9)(H,7,8).
What are the key properties of (5-oxopyrrolidin-3-yl) carbamate?
(5-oxopyrrolidin-3-yl) carbamate has a molecular weight of 144.13 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-3-yl) carbamate is sourced from PubChem (CID 129017556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).