5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C16H23N5O2 — CID 140558193

About 5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 140558193) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
• PubChem CID: 140558193
• Molecular Formula: C16H23N5O2
• Molecular Weight: 317.39 g/mol
• Exact Mass: 317.19
• IUPAC Name: 5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
• SMILES: CC1C2=C(CC(NCC(=O)N3CCCC3C#N)C2)CN1C(N)=O
• InChI: InChI=1S/C16H23N5O2/c1-10-14-6-12(5-11(14)9-21(10)16(18)23)19-8-15(22)20-4-2-3-13(20)7-17/h10,12-13,19H,2-6,8-9H2,1H3,(H2,18,23)
• InChIKey: JKHSCBUCVNYWBL-UHFFFAOYSA-N
• XLogP: 0.33
• TPSA: 102.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.39
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?

The IUPAC name of 5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 140558193) is 5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

What is the SMILES notation for 5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?

The canonical SMILES for 5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CC1C2=C(CC(NCC(=O)N3CCCC3C#N)C2)CN1C(N)=O.

What is the InChIKey of 5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?

The InChIKey is JKHSCBUCVNYWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-14-6-12(5-11(14)9-21(10)16(18)23)19-8-15(22)20-4-2-3-13(20)7-17/h10,12-13,19H,2-6,8-9H2,1H3,(H2,18,23).

What are the key properties of 5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?

5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-3-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 140558193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).