CID 59862771

C11H17N4O2 — CID 59862771

IUPAC—
SMILESCOC1CCC(NC(=O)c2[nH]ncc2[NH])CC1
InChIInChI=1S/C11H17N4O2/c1-17-8-4-2-7(3-5-8)14-11(16)10-9(12)6-13-15-10/h6-8,12H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeyZVFXUPKNLCBTRI-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.01
Rot. Bonds3

About CID 59862771

CID 59862771 (PubChem CID 59862771) has the molecular formula C11H17N4O2 and a molecular weight of 237.28 g/mol.

Molecular Properties

Compound NameCID 59862771
PubChem CID59862771
Molecular FormulaC11H17N4O2
Molecular Weight237.28 g/mol
Exact Mass237.14
IUPAC Name—
SMILESCOC1CCC(NC(=O)c2[nH]ncc2[NH])CC1
InChIInChI=1S/C11H17N4O2/c1-17-8-4-2-7(3-5-8)14-11(16)10-9(12)6-13-15-10/h6-8,12H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeyZVFXUPKNLCBTRI-UHFFFAOYSA-N
XLogP1.01
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59862771?
The IUPAC name of CID 59862771 (CID 59862771) is not available.
What is the SMILES notation for CID 59862771?
The canonical SMILES for CID 59862771 is COC1CCC(NC(=O)c2[nH]ncc2[NH])CC1.
What is the InChIKey of CID 59862771?
The InChIKey is ZVFXUPKNLCBTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N4O2/c1-17-8-4-2-7(3-5-8)14-11(16)10-9(12)6-13-15-10/h6-8,12H,2-5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of CID 59862771?
CID 59862771 has a molecular weight of 237.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59862771 is sourced from PubChem (CID 59862771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).