[1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H23N3O3 — CID 79209164

IUPAC[1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESNC1C=CC(C(=O)N2CCCC2C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H23N3O3/c16-12-4-3-11(10-12)14(19)18-5-1-2-13(18)15(20)17-6-8-21-9-7-17/h3-4,11-13H,1-2,5-10,16H2
InChIKeyMOLCRDHFUDBWAK-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.26
Rot. Bonds2

About [1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 79209164) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID79209164
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESNC1C=CC(C(=O)N2CCCC2C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H23N3O3/c16-12-4-3-11(10-12)14(19)18-5-1-2-13(18)15(20)17-6-8-21-9-7-17/h3-4,11-13H,1-2,5-10,16H2
InChIKeyMOLCRDHFUDBWAK-UHFFFAOYSA-N
XLogP-0.26
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 79209164) is [1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is NC1C=CC(C(=O)N2CCCC2C(=O)N2CCOCC2)C1.
What is the InChIKey of [1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is MOLCRDHFUDBWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-12-4-3-11(10-12)14(19)18-5-1-2-13(18)15(20)17-6-8-21-9-7-17/h3-4,11-13H,1-2,5-10,16H2.
What are the key properties of [1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 293.37 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminocyclopent-2-ene-1-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 79209164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).