CID 58655904

C11H11ClN3O2 — CID 58655904

IUPAC—
SMILESO=c1[nH]c2cc(Cl)cc(N3CC[N]CC3)c2o1
InChIInChI=1S/C11H11ClN3O2/c12-7-5-8-10(17-11(16)14-8)9(6-7)15-3-1-13-2-4-15/h5-6H,1-4H2,(H,14,16)
InChIKeyCAEKSHKGGQOIMQ-UHFFFAOYSA-N
MW252.68 g/mol
LogP1.20
Rot. Bonds1

About CID 58655904

CID 58655904 (PubChem CID 58655904) has the molecular formula C11H11ClN3O2 and a molecular weight of 252.68 g/mol.

Molecular Properties

Compound NameCID 58655904
PubChem CID58655904
Molecular FormulaC11H11ClN3O2
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name—
SMILESO=c1[nH]c2cc(Cl)cc(N3CC[N]CC3)c2o1
InChIInChI=1S/C11H11ClN3O2/c12-7-5-8-10(17-11(16)14-8)9(6-7)15-3-1-13-2-4-15/h5-6H,1-4H2,(H,14,16)
InChIKeyCAEKSHKGGQOIMQ-UHFFFAOYSA-N
XLogP1.20
TPSA63.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58655904?
The IUPAC name of CID 58655904 (CID 58655904) is not available.
What is the SMILES notation for CID 58655904?
The canonical SMILES for CID 58655904 is O=c1[nH]c2cc(Cl)cc(N3CC[N]CC3)c2o1.
What is the InChIKey of CID 58655904?
The InChIKey is CAEKSHKGGQOIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN3O2/c12-7-5-8-10(17-11(16)14-8)9(6-7)15-3-1-13-2-4-15/h5-6H,1-4H2,(H,14,16).
What are the key properties of CID 58655904?
CID 58655904 has a molecular weight of 252.68 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58655904 is sourced from PubChem (CID 58655904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).