CID 132570649

C13H14NO — CID 132570649

IUPAC—
SMILESCC1=Nc2ccccc2C12[CH]COCC2
InChIInChI=1S/C13H14NO/c1-10-13(6-8-15-9-7-13)11-4-2-3-5-12(11)14-10/h2-6H,7-9H2,1H3
InChIKeyKMMVTUKIPPSCLL-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.65
Rot. Bonds

About CID 132570649

CID 132570649 (PubChem CID 132570649) has the molecular formula C13H14NO and a molecular weight of 200.26 g/mol.

Molecular Properties

Compound NameCID 132570649
PubChem CID132570649
Molecular FormulaC13H14NO
Molecular Weight200.26 g/mol
Exact Mass200.11
IUPAC Name—
SMILESCC1=Nc2ccccc2C12[CH]COCC2
InChIInChI=1S/C13H14NO/c1-10-13(6-8-15-9-7-13)11-4-2-3-5-12(11)14-10/h2-6H,7-9H2,1H3
InChIKeyKMMVTUKIPPSCLL-UHFFFAOYSA-N
XLogP2.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 132570649?
The IUPAC name of CID 132570649 (CID 132570649) is not available.
What is the SMILES notation for CID 132570649?
The canonical SMILES for CID 132570649 is CC1=Nc2ccccc2C12[CH]COCC2.
What is the InChIKey of CID 132570649?
The InChIKey is KMMVTUKIPPSCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NO/c1-10-13(6-8-15-9-7-13)11-4-2-3-5-12(11)14-10/h2-6H,7-9H2,1H3.
What are the key properties of CID 132570649?
CID 132570649 has a molecular weight of 200.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132570649 is sourced from PubChem (CID 132570649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).