CID 134848919

C11H14NO — CID 134848919

IUPAC—
SMILESOCc1ccccc1N1[CH]CCC1
InChIInChI=1S/C11H14NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-7,13H,3-4,8-9H2
InChIKeyYSBNRLAJCTVHFO-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.94
Rot. Bonds2

About CID 134848919

CID 134848919 (PubChem CID 134848919) has the molecular formula C11H14NO and a molecular weight of 176.24 g/mol.

Molecular Properties

Compound NameCID 134848919
PubChem CID134848919
Molecular FormulaC11H14NO
Molecular Weight176.24 g/mol
Exact Mass176.11
IUPAC Name—
SMILESOCc1ccccc1N1[CH]CCC1
InChIInChI=1S/C11H14NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-7,13H,3-4,8-9H2
InChIKeyYSBNRLAJCTVHFO-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 134848919?
The IUPAC name of CID 134848919 (CID 134848919) is not available.
What is the SMILES notation for CID 134848919?
The canonical SMILES for CID 134848919 is OCc1ccccc1N1[CH]CCC1.
What is the InChIKey of CID 134848919?
The InChIKey is YSBNRLAJCTVHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-7,13H,3-4,8-9H2.
What are the key properties of CID 134848919?
CID 134848919 has a molecular weight of 176.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134848919 is sourced from PubChem (CID 134848919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).