1,4-diamino-10,10a-dihydro-1H-acridin-2-one

C13H13N3O — CID 19935233

IUPAC1,4-diamino-10,10a-dihydro-1H-acridin-2-one
SMILESNC1=CC(=O)C(N)C2=C1NC1C=CC=CC1=C2
InChIInChI=1S/C13H13N3O/c14-9-6-11(17)12(15)8-5-7-3-1-2-4-10(7)16-13(8)9/h1-6,10,12,16H,14-15H2
InChIKeyVCSBUKBQYJZZPB-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.02
Rot. Bonds

About 1,4-diamino-10,10a-dihydro-1H-acridin-2-one

1,4-diamino-10,10a-dihydro-1H-acridin-2-one (PubChem CID 19935233) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1,4-diamino-10,10a-dihydro-1H-acridin-2-one.

Molecular Properties

Compound Name1,4-diamino-10,10a-dihydro-1H-acridin-2-one
PubChem CID19935233
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1,4-diamino-10,10a-dihydro-1H-acridin-2-one
SMILESNC1=CC(=O)C(N)C2=C1NC1C=CC=CC1=C2
InChIInChI=1S/C13H13N3O/c14-9-6-11(17)12(15)8-5-7-3-1-2-4-10(7)16-13(8)9/h1-6,10,12,16H,14-15H2
InChIKeyVCSBUKBQYJZZPB-UHFFFAOYSA-N
XLogP0.02
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-diamino-10,10a-dihydro-1H-acridin-2-one?
The IUPAC name of 1,4-diamino-10,10a-dihydro-1H-acridin-2-one (CID 19935233) is 1,4-diamino-10,10a-dihydro-1H-acridin-2-one.
What is the SMILES notation for 1,4-diamino-10,10a-dihydro-1H-acridin-2-one?
The canonical SMILES for 1,4-diamino-10,10a-dihydro-1H-acridin-2-one is NC1=CC(=O)C(N)C2=C1NC1C=CC=CC1=C2.
What is the InChIKey of 1,4-diamino-10,10a-dihydro-1H-acridin-2-one?
The InChIKey is VCSBUKBQYJZZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-9-6-11(17)12(15)8-5-7-3-1-2-4-10(7)16-13(8)9/h1-6,10,12,16H,14-15H2.
What are the key properties of 1,4-diamino-10,10a-dihydro-1H-acridin-2-one?
1,4-diamino-10,10a-dihydro-1H-acridin-2-one has a molecular weight of 227.27 g/mol, XLogP of 0.02, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diamino-10,10a-dihydro-1H-acridin-2-one is sourced from PubChem (CID 19935233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).