(1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate

C14H20N2O2 — CID 30367

IUPAC(1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OCC1CCN(C)C1
InChIInChI=1S/C14H20N2O2/c1-11-5-3-4-6-13(11)15-14(17)18-10-12-7-8-16(2)9-12/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyNYOAGFLQMZLAFC-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.50
Rot. Bonds3

About (1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate

(1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate (PubChem CID 30367) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate
PubChem CID30367
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OCC1CCN(C)C1
InChIInChI=1S/C14H20N2O2/c1-11-5-3-4-6-13(11)15-14(17)18-10-12-7-8-16(2)9-12/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyNYOAGFLQMZLAFC-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate?
The IUPAC name of (1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate (CID 30367) is (1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate?
The canonical SMILES for (1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate is Cc1ccccc1NC(=O)OCC1CCN(C)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate?
The InChIKey is NYOAGFLQMZLAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-5-3-4-6-13(11)15-14(17)18-10-12-7-8-16(2)9-12/h3-6,12H,7-10H2,1-2H3,(H,15,17).
What are the key properties of (1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate?
(1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate is sourced from PubChem (CID 30367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).