1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane

C17H23N3O2 — CID 156858667

IUPAC1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane
SMILESCCC.Cc1ccccccncc1N1CCC(=O)NC1=O
InChIInChI=1S/C14H15N3O2.C3H8/c1-11-6-4-2-3-5-8-15-10-12(11)17-9-7-13(18)16-14(17)19;1-3-2/h2-6,8,10H,7,9H2,1H3,(H,16,18,19);3H2,1-2H3/b3-2-,4-2+,5-3-,6-4+,8-5-,11-6-,12-10+,12-11+,15-8+,15-10+;
InChIKeyHKFSPMVWGFZOEO-RNEHNTOUSA-N
MW301.39 g/mol
LogP3.38
Rot. Bonds1

About 1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane

1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane (PubChem CID 156858667) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane.

Molecular Properties

Compound Name1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane
PubChem CID156858667
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane
SMILESCCC.Cc1ccccccncc1N1CCC(=O)NC1=O
InChIInChI=1S/C14H15N3O2.C3H8/c1-11-6-4-2-3-5-8-15-10-12(11)17-9-7-13(18)16-14(17)19;1-3-2/h2-6,8,10H,7,9H2,1H3,(H,16,18,19);3H2,1-2H3/b3-2-,4-2+,5-3-,6-4+,8-5-,11-6-,12-10+,12-11+,15-8+,15-10+;
InChIKeyHKFSPMVWGFZOEO-RNEHNTOUSA-N
XLogP3.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane?
The IUPAC name of 1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane (CID 156858667) is 1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane.
What is the SMILES notation for 1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane?
The canonical SMILES for 1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane is CCC.Cc1ccccccncc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane?
The InChIKey is HKFSPMVWGFZOEO-RNEHNTOUSA-N. The full InChI is InChI=1S/C14H15N3O2.C3H8/c1-11-6-4-2-3-5-8-15-10-12(11)17-9-7-13(18)16-14(17)19;1-3-2/h2-6,8,10H,7,9H2,1H3,(H,16,18,19);3H2,1-2H3/b3-2-,4-2+,5-3-,6-4+,8-5-,11-6-,12-10+,12-11+,15-8+,15-10+;.
What are the key properties of 1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane?
1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane has a molecular weight of 301.39 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane is sourced from PubChem (CID 156858667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).