CID 134860705

C13H19N2O — CID 134860705

IUPAC—
SMILESCN1[C]2CCCCC2[C@@](C)(CCC#N)C1=O
InChIInChI=1S/C13H19N2O/c1-13(8-5-9-14)10-6-3-4-7-11(10)15(2)12(13)16/h10H,3-8H2,1-2H3/t10?,13-/m1/s1
InChIKeyMJHSXOXWFMJHMP-JLOHTSLTSA-N
MW219.31 g/mol
LogP2.49
Rot. Bonds2

About CID 134860705

CID 134860705 (PubChem CID 134860705) has the molecular formula C13H19N2O and a molecular weight of 219.31 g/mol.

Molecular Properties

Compound NameCID 134860705
PubChem CID134860705
Molecular FormulaC13H19N2O
Molecular Weight219.31 g/mol
Exact Mass219.15
IUPAC Name—
SMILESCN1[C]2CCCCC2[C@@](C)(CCC#N)C1=O
InChIInChI=1S/C13H19N2O/c1-13(8-5-9-14)10-6-3-4-7-11(10)15(2)12(13)16/h10H,3-8H2,1-2H3/t10?,13-/m1/s1
InChIKeyMJHSXOXWFMJHMP-JLOHTSLTSA-N
XLogP2.49
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 134860705?
The IUPAC name of CID 134860705 (CID 134860705) is not available.
What is the SMILES notation for CID 134860705?
The canonical SMILES for CID 134860705 is CN1[C]2CCCCC2[C@@](C)(CCC#N)C1=O.
What is the InChIKey of CID 134860705?
The InChIKey is MJHSXOXWFMJHMP-JLOHTSLTSA-N. The full InChI is InChI=1S/C13H19N2O/c1-13(8-5-9-14)10-6-3-4-7-11(10)15(2)12(13)16/h10H,3-8H2,1-2H3/t10?,13-/m1/s1.
What are the key properties of CID 134860705?
CID 134860705 has a molecular weight of 219.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134860705 is sourced from PubChem (CID 134860705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).