1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine

C11H13N5O — CID 168605395

IUPAC1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc2c(c1)CC(=O)C2
InChIInChI=1S/C11H13N5O/c12-10(13)16-11(14)15-8-2-1-6-4-9(17)5-7(6)3-8/h1-3H,4-5H2,(H6,12,13,14,15,16)
InChIKeySQXJIHOSYCEDFE-UHFFFAOYSA-N
MW231.26 g/mol
LogP-0.43
Rot. Bonds1

About 1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine

1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine (PubChem CID 168605395) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine
PubChem CID168605395
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc2c(c1)CC(=O)C2
InChIInChI=1S/C11H13N5O/c12-10(13)16-11(14)15-8-2-1-6-4-9(17)5-7(6)3-8/h1-3H,4-5H2,(H6,12,13,14,15,16)
InChIKeySQXJIHOSYCEDFE-UHFFFAOYSA-N
XLogP-0.43
TPSA119.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine (CID 168605395) is 1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine is NC(N)=N/C(N)=N/c1ccc2c(c1)CC(=O)C2.
What is the InChIKey of 1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine?
The InChIKey is SQXJIHOSYCEDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-10(13)16-11(14)15-8-2-1-6-4-9(17)5-7(6)3-8/h1-3H,4-5H2,(H6,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine?
1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine has a molecular weight of 231.26 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-oxo-1,3-dihydroinden-5-yl)guanidine is sourced from PubChem (CID 168605395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).