1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione

C10H15N3O2 — CID 155061638

IUPAC1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione
SMILESNC1(CNCCN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C10H15N3O2/c11-10(3-4-10)7-12-5-6-13-8(14)1-2-9(13)15/h1-2,12H,3-7,11H2
InChIKeyOZXAOSPRPGHHHN-UHFFFAOYSA-N
MW209.25 g/mol
LogP-1.01
Rot. Bonds5

About 1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione

1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione (PubChem CID 155061638) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione
PubChem CID155061638
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione
SMILESNC1(CNCCN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C10H15N3O2/c11-10(3-4-10)7-12-5-6-13-8(14)1-2-9(13)15/h1-2,12H,3-7,11H2
InChIKeyOZXAOSPRPGHHHN-UHFFFAOYSA-N
XLogP-1.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione (CID 155061638) is 1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione is NC1(CNCCN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione?
The InChIKey is OZXAOSPRPGHHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-10(3-4-10)7-12-5-6-13-8(14)1-2-9(13)15/h1-2,12H,3-7,11H2.
What are the key properties of 1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione?
1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione has a molecular weight of 209.25 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-aminocyclopropyl)methylamino]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 155061638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).