methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate

C9H14N2O2 — CID 131155774

IUPACmethyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1ccc(C)n1C
InChIInChI=1S/C9H14N2O2/c1-7-4-5-8(11(7)2)6-10-9(12)13-3/h4-5H,6H2,1-3H3,(H,10,12)
InChIKeyWRYNAGVAAIZGKO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.19
Rot. Bonds2

About methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate

methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate (PubChem CID 131155774) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate
PubChem CID131155774
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Namemethyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1ccc(C)n1C
InChIInChI=1S/C9H14N2O2/c1-7-4-5-8(11(7)2)6-10-9(12)13-3/h4-5H,6H2,1-3H3,(H,10,12)
InChIKeyWRYNAGVAAIZGKO-UHFFFAOYSA-N
XLogP1.19
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate (CID 131155774) is methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate is COC(=O)NCc1ccc(C)n1C.
What is the InChIKey of methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate?
The InChIKey is WRYNAGVAAIZGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-4-5-8(11(7)2)6-10-9(12)13-3/h4-5H,6H2,1-3H3,(H,10,12).
What are the key properties of methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate?
methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate has a molecular weight of 182.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate is sourced from PubChem (CID 131155774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).