1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione

C18H29NO2 — CID 66880211

IUPAC1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione
SMILESCCCC1C[C@H](N2C(=O)C=CC2=O)[C@H](CCC)[C@H]1CCC
InChIInChI=1S/C18H29NO2/c1-4-7-13-12-16(19-17(20)10-11-18(19)21)15(9-6-3)14(13)8-5-2/h10-11,13-16H,4-9,12H2,1-3H3/t13?,14-,15+,16-/m0/s1
InChIKeyDARSVYNTOGTPAZ-UYTSQGDYSA-N
MW291.43 g/mol
LogP3.93
Rot. Bonds7

About 1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione

1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione (PubChem CID 66880211) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione
PubChem CID66880211
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione
SMILESCCCC1C[C@H](N2C(=O)C=CC2=O)[C@H](CCC)[C@H]1CCC
InChIInChI=1S/C18H29NO2/c1-4-7-13-12-16(19-17(20)10-11-18(19)21)15(9-6-3)14(13)8-5-2/h10-11,13-16H,4-9,12H2,1-3H3/t13?,14-,15+,16-/m0/s1
InChIKeyDARSVYNTOGTPAZ-UYTSQGDYSA-N
XLogP3.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione (CID 66880211) is 1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione is CCCC1C[C@H](N2C(=O)C=CC2=O)[C@H](CCC)[C@H]1CCC.
What is the InChIKey of 1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione?
The InChIKey is DARSVYNTOGTPAZ-UYTSQGDYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-7-13-12-16(19-17(20)10-11-18(19)21)15(9-6-3)14(13)8-5-2/h10-11,13-16H,4-9,12H2,1-3H3/t13?,14-,15+,16-/m0/s1.
What are the key properties of 1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione?
1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione has a molecular weight of 291.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,3S)-2,3,4-tripropylcyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 66880211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).