[(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate

C9H18N2O2 — CID 10607599

IUPAC[(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC[C@@H]1CCCN1C
InChIInChI=1S/C9H18N2O2/c1-10(2)9(12)13-7-8-5-4-6-11(8)3/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyFOBVIFFQPVSYEE-QMMMGPOBSA-N
MW186.25 g/mol
LogP0.78
Rot. Bonds2

About [(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate

[(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate (PubChem CID 10607599) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate
PubChem CID10607599
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC[C@@H]1CCCN1C
InChIInChI=1S/C9H18N2O2/c1-10(2)9(12)13-7-8-5-4-6-11(8)3/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyFOBVIFFQPVSYEE-QMMMGPOBSA-N
XLogP0.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate (CID 10607599) is [(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate is CN(C)C(=O)OC[C@@H]1CCCN1C.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate?
The InChIKey is FOBVIFFQPVSYEE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10(2)9(12)13-7-8-5-4-6-11(8)3/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate?
[(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 10607599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).