1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione

C17H26N2O2 — CID 10589598

IUPAC1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione
SMILESC=C1CN(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H26N2O2/c1-13-12-18(14-8-4-2-5-9-14)17(21)19(16(13)20)15-10-6-3-7-11-15/h14-15H,1-12H2
InChIKeyAGUJYNPLHQPYGY-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.47
Rot. Bonds2

About 1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione

1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione (PubChem CID 10589598) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione
PubChem CID10589598
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione
SMILESC=C1CN(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H26N2O2/c1-13-12-18(14-8-4-2-5-9-14)17(21)19(16(13)20)15-10-6-3-7-11-15/h14-15H,1-12H2
InChIKeyAGUJYNPLHQPYGY-UHFFFAOYSA-N
XLogP3.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione (CID 10589598) is 1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione is C=C1CN(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione?
The InChIKey is AGUJYNPLHQPYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-12-18(14-8-4-2-5-9-14)17(21)19(16(13)20)15-10-6-3-7-11-15/h14-15H,1-12H2.
What are the key properties of 1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione?
1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione has a molecular weight of 290.41 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 10589598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).