pyrrolidin-3-yl N,N-dimethylcarbamate

C7H14N2O2 — CID 54025595

IUPACpyrrolidin-3-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1CCNC1
InChIInChI=1S/C7H14N2O2/c1-9(2)7(10)11-6-3-4-8-5-6/h6,8H,3-5H2,1-2H3
InChIKeyVGGYKDDTDHVRCA-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.05
Rot. Bonds1

About pyrrolidin-3-yl N,N-dimethylcarbamate

pyrrolidin-3-yl N,N-dimethylcarbamate (PubChem CID 54025595) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is pyrrolidin-3-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Namepyrrolidin-3-yl N,N-dimethylcarbamate
PubChem CID54025595
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namepyrrolidin-3-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1CCNC1
InChIInChI=1S/C7H14N2O2/c1-9(2)7(10)11-6-3-4-8-5-6/h6,8H,3-5H2,1-2H3
InChIKeyVGGYKDDTDHVRCA-UHFFFAOYSA-N
XLogP0.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl N,N-dimethylcarbamate
CID 91507793
pyrrolidin-3-yl propanoate
CID 53409832
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
CID 67938211
[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
CID 140571611
pyrrolidin-3-yl N-butyl-N-(2-fluoroethyl)carbamate
CID 174759358
O-[(3S)-pyrrolidin-3-yl] methylsulfanylmethanethioate
CID 121256318
pyrrolidin-3-yl 2,2,2-trichloroacetate;hydrochloride
CID 56829478
[(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate
CID 174695074
2-pyrrolidin-3-yloxypropanamide
CID 62327738
N-ethyl-N-methyl-2-pyrrolidin-3-yloxyacetamide
CID 62327910
pyrrolidin-3-yl piperidine-1-carboxylate
CID 79337599
[(3S)-pyrrolidin-3-yl] oxane-4-carboxylate
CID 86319568

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl N,N-dimethylcarbamate?
The IUPAC name of pyrrolidin-3-yl N,N-dimethylcarbamate (CID 54025595) is pyrrolidin-3-yl N,N-dimethylcarbamate.
What is the SMILES notation for pyrrolidin-3-yl N,N-dimethylcarbamate?
The canonical SMILES for pyrrolidin-3-yl N,N-dimethylcarbamate is CN(C)C(=O)OC1CCNC1.
What is the InChIKey of pyrrolidin-3-yl N,N-dimethylcarbamate?
The InChIKey is VGGYKDDTDHVRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9(2)7(10)11-6-3-4-8-5-6/h6,8H,3-5H2,1-2H3.
What are the key properties of pyrrolidin-3-yl N,N-dimethylcarbamate?
pyrrolidin-3-yl N,N-dimethylcarbamate has a molecular weight of 158.20 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl N,N-dimethylcarbamate is sourced from PubChem (CID 54025595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).