(1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate

C9H18N2O2 — CID 10511771

IUPAC(1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC1CCCN1C
InChIInChI=1S/C9H18N2O2/c1-10(2)9(12)13-7-8-5-4-6-11(8)3/h8H,4-7H2,1-3H3
InChIKeyFOBVIFFQPVSYEE-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.78
Rot. Bonds2

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

(1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate (PubChem CID 10511771) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate
PubChem CID10511771
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC1CCCN1C
InChIInChI=1S/C9H18N2O2/c1-10(2)9(12)13-7-8-5-4-6-11(8)3/h8H,4-7H2,1-3H3
InChIKeyFOBVIFFQPVSYEE-UHFFFAOYSA-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 (1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate?
The IUPAC name of (1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate (CID 10511771) is (1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for (1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate?
The canonical SMILES for (1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate is CN(C)C(=O)OCC1CCCN1C.
What is the InChIKey of (1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate?
The InChIKey is FOBVIFFQPVSYEE-UHFFFAOYSA-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.
What are the key properties of (1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate?
(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 (1-methylpyrrolidin-2-yl)methyl N,N-dimethylcarbamate is sourced from PubChem (CID 10511771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).