ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate

C17H26N2O3 — CID 12894334

IUPACethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate
SMILESCCOC(=O)Cn1c(C)c2c(c1C)C(C)(C(N)=O)CC2(C)C
InChIInChI=1S/C17H26N2O3/c1-7-22-12(20)8-19-10(2)13-14(11(19)3)17(6,15(18)21)9-16(13,4)5/h7-9H2,1-6H3,(H2,18,21)
InChIKeyFUYGPVSERBOVMN-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.09
Rot. Bonds4

About ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate

ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate (PubChem CID 12894334) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate
PubChem CID12894334
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nameethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate
SMILESCCOC(=O)Cn1c(C)c2c(c1C)C(C)(C(N)=O)CC2(C)C
InChIInChI=1S/C17H26N2O3/c1-7-22-12(20)8-19-10(2)13-14(11(19)3)17(6,15(18)21)9-16(13,4)5/h7-9H2,1-6H3,(H2,18,21)
InChIKeyFUYGPVSERBOVMN-UHFFFAOYSA-N
XLogP2.09
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate?
The IUPAC name of ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate (CID 12894334) is ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate is CCOC(=O)Cn1c(C)c2c(c1C)C(C)(C(N)=O)CC2(C)C.
What is the InChIKey of ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate?
The InChIKey is FUYGPVSERBOVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-7-22-12(20)8-19-10(2)13-14(11(19)3)17(6,15(18)21)9-16(13,4)5/h7-9H2,1-6H3,(H2,18,21).
What are the key properties of ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate?
ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate has a molecular weight of 306.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-carbamoyl-1,3,4,6,6-pentamethyl-5H-cyclopenta[c]pyrrol-2-yl)acetate is sourced from PubChem (CID 12894334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).