CID 140659590

C8H11N2O — CID 140659590

IUPAC—
SMILES[CH2]c1ccc(=O)n(C(C)C)n1
InChIInChI=1S/C8H11N2O/c1-6(2)10-8(11)5-4-7(3)9-10/h4-6H,3H2,1-2H3
InChIKeyKPDGXHMDFKXMMT-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.01
Rot. Bonds1

About CID 140659590

CID 140659590 (PubChem CID 140659590) has the molecular formula C8H11N2O and a molecular weight of 151.19 g/mol.

Molecular Properties

Compound NameCID 140659590
PubChem CID140659590
Molecular FormulaC8H11N2O
Molecular Weight151.19 g/mol
Exact Mass151.09
IUPAC Name—
SMILES[CH2]c1ccc(=O)n(C(C)C)n1
InChIInChI=1S/C8H11N2O/c1-6(2)10-8(11)5-4-7(3)9-10/h4-6H,3H2,1-2H3
InChIKeyKPDGXHMDFKXMMT-UHFFFAOYSA-N
XLogP1.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 140659590?
The IUPAC name of CID 140659590 (CID 140659590) is not available.
What is the SMILES notation for CID 140659590?
The canonical SMILES for CID 140659590 is [CH2]c1ccc(=O)n(C(C)C)n1.
What is the InChIKey of CID 140659590?
The InChIKey is KPDGXHMDFKXMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2O/c1-6(2)10-8(11)5-4-7(3)9-10/h4-6H,3H2,1-2H3.
What are the key properties of CID 140659590?
CID 140659590 has a molecular weight of 151.19 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140659590 is sourced from PubChem (CID 140659590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).