1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide

C16H21N3O3 — CID 97341239

IUPAC1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cccn1C1CCCC1)[C@H]1CC(=O)NC1=O
InChIInChI=1S/C16H21N3O3/c1-2-18(13-10-14(20)17-15(13)21)16(22)12-8-5-9-19(12)11-6-3-4-7-11/h5,8-9,11,13H,2-4,6-7,10H2,1H3,(H,17,20,21)/t13-/m0/s1
InChIKeyYZIPTBXRZPSCPC-ZDUSSCGKSA-N
MW303.36 g/mol
LogP1.48
Rot. Bonds4

About 1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide

1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide (PubChem CID 97341239) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide
PubChem CID97341239
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cccn1C1CCCC1)[C@H]1CC(=O)NC1=O
InChIInChI=1S/C16H21N3O3/c1-2-18(13-10-14(20)17-15(13)21)16(22)12-8-5-9-19(12)11-6-3-4-7-11/h5,8-9,11,13H,2-4,6-7,10H2,1H3,(H,17,20,21)/t13-/m0/s1
InChIKeyYZIPTBXRZPSCPC-ZDUSSCGKSA-N
XLogP1.48
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide (CID 97341239) is 1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide is CCN(C(=O)c1cccn1C1CCCC1)[C@H]1CC(=O)NC1=O.
What is the InChIKey of 1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide?
The InChIKey is YZIPTBXRZPSCPC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-18(13-10-14(20)17-15(13)21)16(22)12-8-5-9-19(12)11-6-3-4-7-11/h5,8-9,11,13H,2-4,6-7,10H2,1H3,(H,17,20,21)/t13-/m0/s1.
What are the key properties of 1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide?
1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 97341239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).