methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate

C9H16N2O3 — CID 2971037

IUPACmethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate
SMILESCOC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C9H16N2O3/c1-14-9(13)10-5-3-7-11-6-2-4-8(11)12/h2-7H2,1H3,(H,10,13)
InChIKeyILYATPOFTRYEJS-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.35
Rot. Bonds4

About methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate

methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate (PubChem CID 2971037) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate
PubChem CID2971037
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate
SMILESCOC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C9H16N2O3/c1-14-9(13)10-5-3-7-11-6-2-4-8(11)12/h2-7H2,1H3,(H,10,13)
InChIKeyILYATPOFTRYEJS-UHFFFAOYSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(2-Oxo-1-pyrrolidinyl)propyl)acetamide
CID 129397
tert-butyl N-((5-oxopyrrolidin-3-yl)methyl)carbamate
CID 68769671
methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate
CID 11230270
[2-(2-Oxo-pyrrolidin-1-yl)ethyl]carbamic Acid tert-Butyl Ester
CID 24776725
2,2,2-trifluoroethyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate
CID 9167275
N-[3-(2-oxopyrrolidin-1-yl)propyl]formamide
CID 17781562
3-(2-Oxopyrrolidin-1-yl)propylcarbamic acid
CID 18454826
1-[4-(Methylamino)butyl]pyrrolidin-2-one
CID 19006639
N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 19386851
Methanidyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
CID 20723504
2,2-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 21360973
Pyrrolidin-2-one;tetramethylazanium
CID 21484020

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate?
The IUPAC name of methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate (CID 2971037) is methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate.
What is the SMILES notation for methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate?
The canonical SMILES for methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate is COC(=O)NCCCN1CCCC1=O.
What is the InChIKey of methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate?
The InChIKey is ILYATPOFTRYEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-9(13)10-5-3-7-11-6-2-4-8(11)12/h2-7H2,1H3,(H,10,13).
What are the key properties of methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate?
methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(2-oxopyrrolidin-1-yl)propyl]carbamate is sourced from PubChem (CID 2971037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).