(3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate

C13H20N2O2 — CID 61310267

IUPAC(3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate
SMILESCC1CCCC(OC(=O)c2cc(N)cn2C)C1
InChIInChI=1S/C13H20N2O2/c1-9-4-3-5-11(6-9)17-13(16)12-7-10(14)8-15(12)2/h7-9,11H,3-6,14H2,1-2H3
InChIKeyUPRYDRSIBKPZFH-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.34
Rot. Bonds2

About (3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate

(3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 61310267) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID61310267
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate
SMILESCC1CCCC(OC(=O)c2cc(N)cn2C)C1
InChIInChI=1S/C13H20N2O2/c1-9-4-3-5-11(6-9)17-13(16)12-7-10(14)8-15(12)2/h7-9,11H,3-6,14H2,1-2H3
InChIKeyUPRYDRSIBKPZFH-UHFFFAOYSA-N
XLogP2.34
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of (3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate (CID 61310267) is (3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for (3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for (3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate is CC1CCCC(OC(=O)c2cc(N)cn2C)C1.
What is the InChIKey of (3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is UPRYDRSIBKPZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-4-3-5-11(6-9)17-13(16)12-7-10(14)8-15(12)2/h7-9,11H,3-6,14H2,1-2H3.
What are the key properties of (3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate?
(3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 61310267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).