1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione

C9H15N3O2 — CID 142360270

IUPAC1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione
SMILESNCC/C=C/CN1CCC(=O)NC1=O
InChIInChI=1S/C9H15N3O2/c10-5-2-1-3-6-12-7-4-8(13)11-9(12)14/h1,3H,2,4-7,10H2,(H,11,13,14)/b3-1+
InChIKeyYDNULBXYCOFXID-HNQUOIGGSA-N
MW197.24 g/mol
LogP-0.17
Rot. Bonds4

About 1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione

1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione (PubChem CID 142360270) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione
PubChem CID142360270
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione
SMILESNCC/C=C/CN1CCC(=O)NC1=O
InChIInChI=1S/C9H15N3O2/c10-5-2-1-3-6-12-7-4-8(13)11-9(12)14/h1,3H,2,4-7,10H2,(H,11,13,14)/b3-1+
InChIKeyYDNULBXYCOFXID-HNQUOIGGSA-N
XLogP-0.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione (CID 142360270) is 1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione is NCC/C=C/CN1CCC(=O)NC1=O.
What is the InChIKey of 1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione?
The InChIKey is YDNULBXYCOFXID-HNQUOIGGSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-5-2-1-3-6-12-7-4-8(13)11-9(12)14/h1,3H,2,4-7,10H2,(H,11,13,14)/b3-1+.
What are the key properties of 1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione?
1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-aminopent-2-enyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 142360270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).