cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate

C18H19NO5 — CID 5121985

IUPACcyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate
SMILESC=C1NC2(O)c3ccccc3C(=O)C2(O)C1C(=O)OC1CCCC1
InChIInChI=1S/C18H19NO5/c1-10-14(16(21)24-11-6-2-3-7-11)17(22)15(20)12-8-4-5-9-13(12)18(17,23)19-10/h4-5,8-9,11,14,19,22-23H,1-3,6-7H2
InChIKeyPTTQJRVUXIVJKG-UHFFFAOYSA-N
MW329.35 g/mol
LogP0.98
Rot. Bonds2

About cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate

cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate (PubChem CID 5121985) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate
PubChem CID5121985
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namecyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate
SMILESC=C1NC2(O)c3ccccc3C(=O)C2(O)C1C(=O)OC1CCCC1
InChIInChI=1S/C18H19NO5/c1-10-14(16(21)24-11-6-2-3-7-11)17(22)15(20)12-8-4-5-9-13(12)18(17,23)19-10/h4-5,8-9,11,14,19,22-23H,1-3,6-7H2
InChIKeyPTTQJRVUXIVJKG-UHFFFAOYSA-N
XLogP0.98
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate?
The IUPAC name of cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate (CID 5121985) is cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate.
What is the SMILES notation for cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate?
The canonical SMILES for cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate is C=C1NC2(O)c3ccccc3C(=O)C2(O)C1C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate?
The InChIKey is PTTQJRVUXIVJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-10-14(16(21)24-11-6-2-3-7-11)17(22)15(20)12-8-4-5-9-13(12)18(17,23)19-10/h4-5,8-9,11,14,19,22-23H,1-3,6-7H2.
What are the key properties of cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate?
cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3a,8b-dihydroxy-2-methylidene-4-oxo-1,3-dihydroindeno[1,2-b]pyrrole-3-carboxylate is sourced from PubChem (CID 5121985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).