1-pentyldiazinane-3,6-dione

C9H16N2O2 — CID 21443664

IUPAC1-pentyldiazinane-3,6-dione
SMILESCCCCCN1NC(=O)CCC1=O
InChIInChI=1S/C9H16N2O2/c1-2-3-4-7-11-9(13)6-5-8(12)10-11/h2-7H2,1H3,(H,10,12)
InChIKeyVLMJTGMNOPGFSE-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.83
Rot. Bonds4

About 1-pentyldiazinane-3,6-dione

1-pentyldiazinane-3,6-dione (PubChem CID 21443664) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-pentyldiazinane-3,6-dione.

Molecular Properties

Compound Name1-pentyldiazinane-3,6-dione
PubChem CID21443664
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-pentyldiazinane-3,6-dione
SMILESCCCCCN1NC(=O)CCC1=O
InChIInChI=1S/C9H16N2O2/c1-2-3-4-7-11-9(13)6-5-8(12)10-11/h2-7H2,1H3,(H,10,12)
InChIKeyVLMJTGMNOPGFSE-UHFFFAOYSA-N
XLogP0.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentyldiazinane-3,6-dione?
The IUPAC name of 1-pentyldiazinane-3,6-dione (CID 21443664) is 1-pentyldiazinane-3,6-dione.
What is the SMILES notation for 1-pentyldiazinane-3,6-dione?
The canonical SMILES for 1-pentyldiazinane-3,6-dione is CCCCCN1NC(=O)CCC1=O.
What is the InChIKey of 1-pentyldiazinane-3,6-dione?
The InChIKey is VLMJTGMNOPGFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-3-4-7-11-9(13)6-5-8(12)10-11/h2-7H2,1H3,(H,10,12).
What are the key properties of 1-pentyldiazinane-3,6-dione?
1-pentyldiazinane-3,6-dione has a molecular weight of 184.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyldiazinane-3,6-dione is sourced from PubChem (CID 21443664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).