1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one

C13H13N3O — CID 167658335

IUPAC1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one
SMILESC=C1CCN(C2=Nc3ccccc3C2)C(=O)N1
InChIInChI=1S/C13H13N3O/c1-9-6-7-16(13(17)14-9)12-8-10-4-2-3-5-11(10)15-12/h2-5H,1,6-8H2,(H,14,17)
InChIKeyQYLJZBPRBVZSDT-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.20
Rot. Bonds

About 1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one

1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one (PubChem CID 167658335) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one
PubChem CID167658335
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one
SMILESC=C1CCN(C2=Nc3ccccc3C2)C(=O)N1
InChIInChI=1S/C13H13N3O/c1-9-6-7-16(13(17)14-9)12-8-10-4-2-3-5-11(10)15-12/h2-5H,1,6-8H2,(H,14,17)
InChIKeyQYLJZBPRBVZSDT-UHFFFAOYSA-N
XLogP2.20
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one?
The IUPAC name of 1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one (CID 167658335) is 1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one?
The canonical SMILES for 1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one is C=C1CCN(C2=Nc3ccccc3C2)C(=O)N1.
What is the InChIKey of 1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one?
The InChIKey is QYLJZBPRBVZSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-6-7-16(13(17)14-9)12-8-10-4-2-3-5-11(10)15-12/h2-5H,1,6-8H2,(H,14,17).
What are the key properties of 1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one?
1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one has a molecular weight of 227.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one is sourced from PubChem (CID 167658335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).