2-(2-oxopyrrolidin-1-yl)ethyl carbamate

C7H12N2O3 — CID 118350046

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl carbamate
SMILESNC(=O)OCCN1CCCC1=O
InChIInChI=1S/C7H12N2O3/c8-7(11)12-5-4-9-3-1-2-6(9)10/h1-5H2,(H2,8,11)
InChIKeyZXWPKORLXHVORQ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.30
Rot. Bonds3

About 2-(2-oxopyrrolidin-1-yl)ethyl carbamate

2-(2-oxopyrrolidin-1-yl)ethyl carbamate (PubChem CID 118350046) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl carbamate
PubChem CID118350046
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl carbamate
SMILESNC(=O)OCCN1CCCC1=O
InChIInChI=1S/C7H12N2O3/c8-7(11)12-5-4-9-3-1-2-6(9)10/h1-5H2,(H2,8,11)
InChIKeyZXWPKORLXHVORQ-UHFFFAOYSA-N
XLogP-0.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopyrrolidin-1-yl)ethyl 2-chloro-2-methylbutanoate
CID 175623661
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1,1-difluoro-2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethanesulfonate
CID 58520241
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate
CID 88849448
(Z)-5-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]pent-3-enoic acid
CID 145314565
2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate
CID 2375129
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate
CID 130382780
2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate
CID 2420777
2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate
CID 175962032

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl carbamate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl carbamate (CID 118350046) is 2-(2-oxopyrrolidin-1-yl)ethyl carbamate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl carbamate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl carbamate is NC(=O)OCCN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl carbamate?
The InChIKey is ZXWPKORLXHVORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-7(11)12-5-4-9-3-1-2-6(9)10/h1-5H2,(H2,8,11).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl carbamate?
2-(2-oxopyrrolidin-1-yl)ethyl carbamate has a molecular weight of 172.18 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl carbamate is sourced from PubChem (CID 118350046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).