CID 11321910

C13H17N2O — CID 11321910

IUPAC—
SMILESCC1(C)C=C(c2ccccn2)C(C)(C)N1[O]
InChIInChI=1S/C13H17N2O/c1-12(2)9-10(13(3,4)15(12)16)11-7-5-6-8-14-11/h5-9H,1-4H3
InChIKeyAEHLRECIJGFKOD-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.68
Rot. Bonds1

About CID 11321910

CID 11321910 (PubChem CID 11321910) has the molecular formula C13H17N2O and a molecular weight of 217.29 g/mol.

Molecular Properties

Compound NameCID 11321910
PubChem CID11321910
Molecular FormulaC13H17N2O
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name—
SMILESCC1(C)C=C(c2ccccn2)C(C)(C)N1[O]
InChIInChI=1S/C13H17N2O/c1-12(2)9-10(13(3,4)15(12)16)11-7-5-6-8-14-11/h5-9H,1-4H3
InChIKeyAEHLRECIJGFKOD-UHFFFAOYSA-N
XLogP2.68
TPSA36.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134848815
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CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
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CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one
CID 59005733
propane;2-pyridin-2-ylpyridine
CID 158168510
pyrrolo[3,2-b]azepine
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Frequently Asked Questions

What is the IUPAC name of CID 11321910?
The IUPAC name of CID 11321910 (CID 11321910) is not available.
What is the SMILES notation for CID 11321910?
The canonical SMILES for CID 11321910 is CC1(C)C=C(c2ccccn2)C(C)(C)N1[O].
What is the InChIKey of CID 11321910?
The InChIKey is AEHLRECIJGFKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2O/c1-12(2)9-10(13(3,4)15(12)16)11-7-5-6-8-14-11/h5-9H,1-4H3.
What are the key properties of CID 11321910?
CID 11321910 has a molecular weight of 217.29 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11321910 is sourced from PubChem (CID 11321910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).