(1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate

C14H20N2O2 — CID 3032669

IUPAC(1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OCC1CCCN1C
InChIInChI=1S/C14H20N2O2/c1-11-6-3-4-8-13(11)15-14(17)18-10-12-7-5-9-16(12)2/h3-4,6,8,12H,5,7,9-10H2,1-2H3,(H,15,17)
InChIKeyIOFSMGVZXVCEDD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.64
Rot. Bonds3

About (1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate

(1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate (PubChem CID 3032669) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Name(1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate
PubChem CID3032669
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OCC1CCCN1C
InChIInChI=1S/C14H20N2O2/c1-11-6-3-4-8-13(11)15-14(17)18-10-12-7-5-9-16(12)2/h3-4,6,8,12H,5,7,9-10H2,1-2H3,(H,15,17)
InChIKeyIOFSMGVZXVCEDD-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate?
The IUPAC name of (1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate (CID 3032669) is (1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate.
What is the SMILES notation for (1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate?
The canonical SMILES for (1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate is Cc1ccccc1NC(=O)OCC1CCCN1C.
What is the InChIKey of (1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate?
The InChIKey is IOFSMGVZXVCEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-6-3-4-8-13(11)15-14(17)18-10-12-7-5-9-16(12)2/h3-4,6,8,12H,5,7,9-10H2,1-2H3,(H,15,17).
What are the key properties of (1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate?
(1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-2-yl)methyl N-(2-methylphenyl)carbamate is sourced from PubChem (CID 3032669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).