methyl(pyrrole-1-carbonyl)carbamic acid

C7H8N2O3 — CID 70634798

IUPACmethyl(pyrrole-1-carbonyl)carbamic acid
SMILESCN(C(=O)O)C(=O)n1cccc1
InChIInChI=1S/C7H8N2O3/c1-8(7(11)12)6(10)9-4-2-3-5-9/h2-5H,1H3,(H,11,12)
InChIKeyRYEMORRVASYTBZ-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.07
Rot. Bonds

About methyl(pyrrole-1-carbonyl)carbamic acid

methyl(pyrrole-1-carbonyl)carbamic acid (PubChem CID 70634798) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl(pyrrole-1-carbonyl)carbamic acid.

Molecular Properties

Compound Namemethyl(pyrrole-1-carbonyl)carbamic acid
PubChem CID70634798
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl(pyrrole-1-carbonyl)carbamic acid
SMILESCN(C(=O)O)C(=O)n1cccc1
InChIInChI=1S/C7H8N2O3/c1-8(7(11)12)6(10)9-4-2-3-5-9/h2-5H,1H3,(H,11,12)
InChIKeyRYEMORRVASYTBZ-UHFFFAOYSA-N
XLogP1.07
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl(pyrrole-1-carbonyl)carbamic acid?
The IUPAC name of methyl(pyrrole-1-carbonyl)carbamic acid (CID 70634798) is methyl(pyrrole-1-carbonyl)carbamic acid.
What is the SMILES notation for methyl(pyrrole-1-carbonyl)carbamic acid?
The canonical SMILES for methyl(pyrrole-1-carbonyl)carbamic acid is CN(C(=O)O)C(=O)n1cccc1.
What is the InChIKey of methyl(pyrrole-1-carbonyl)carbamic acid?
The InChIKey is RYEMORRVASYTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-8(7(11)12)6(10)9-4-2-3-5-9/h2-5H,1H3,(H,11,12).
What are the key properties of methyl(pyrrole-1-carbonyl)carbamic acid?
methyl(pyrrole-1-carbonyl)carbamic acid has a molecular weight of 168.15 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(pyrrole-1-carbonyl)carbamic acid is sourced from PubChem (CID 70634798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).