ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate

C15H20N2O2 — CID 70586914

IUPACethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate
SMILESCCOC(=O)Cc1cc(C)c(-c2cccn2C)n1C
InChIInChI=1S/C15H20N2O2/c1-5-19-14(18)10-12-9-11(2)15(17(12)4)13-7-6-8-16(13)3/h6-9H,5,10H2,1-4H3
InChIKeySGCOFFJWDMINOX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.44
Rot. Bonds4

About ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate

ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate (PubChem CID 70586914) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate
PubChem CID70586914
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate
SMILESCCOC(=O)Cc1cc(C)c(-c2cccn2C)n1C
InChIInChI=1S/C15H20N2O2/c1-5-19-14(18)10-12-9-11(2)15(17(12)4)13-7-6-8-16(13)3/h6-9H,5,10H2,1-4H3
InChIKeySGCOFFJWDMINOX-UHFFFAOYSA-N
XLogP2.44
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate?
The IUPAC name of ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate (CID 70586914) is ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate?
The canonical SMILES for ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate is CCOC(=O)Cc1cc(C)c(-c2cccn2C)n1C.
What is the InChIKey of ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate?
The InChIKey is SGCOFFJWDMINOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-19-14(18)10-12-9-11(2)15(17(12)4)13-7-6-8-16(13)3/h6-9H,5,10H2,1-4H3.
What are the key properties of ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate?
ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate has a molecular weight of 260.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate is sourced from PubChem (CID 70586914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).