(1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate

C14H19ClN2O2 — CID 30518

IUPAC(1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
SMILESCc1cccc(Cl)c1NC(=O)OCC1CCN(C)C1
InChIInChI=1S/C14H19ClN2O2/c1-10-4-3-5-12(15)13(10)16-14(18)19-9-11-6-7-17(2)8-11/h3-5,11H,6-9H2,1-2H3,(H,16,18)
InChIKeyKECOAXLWNXXSSU-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.15
Rot. Bonds3

About (1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate

(1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate (PubChem CID 30518) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
PubChem CID30518
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
SMILESCc1cccc(Cl)c1NC(=O)OCC1CCN(C)C1
InChIInChI=1S/C14H19ClN2O2/c1-10-4-3-5-12(15)13(10)16-14(18)19-9-11-6-7-17(2)8-11/h3-5,11H,6-9H2,1-2H3,(H,16,18)
InChIKeyKECOAXLWNXXSSU-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.15
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-chloro-6-methylphenyl)carbamate?
The IUPAC name of (1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate (CID 30518) is (1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
The canonical SMILES for (1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate is Cc1cccc(Cl)c1NC(=O)OCC1CCN(C)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
The InChIKey is KECOAXLWNXXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-4-3-5-12(15)13(10)16-14(18)19-9-11-6-7-17(2)8-11/h3-5,11H,6-9H2,1-2H3,(H,16,18).
What are the key properties of (1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
(1-methylpyrrolidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate has a molecular weight of 282.77 g/mol, XLogP of 3.15, 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-chloro-6-methylphenyl)carbamate is sourced from PubChem (CID 30518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).