CID 102012554

C12H14NO — CID 102012554

IUPAC—
SMILES[CH2]N(CCC=C)C(=O)c1ccccc1
InChIInChI=1S/C12H14NO/c1-3-4-10-13(2)12(14)11-8-6-5-7-9-11/h3,5-9H,1-2,4,10H2
InChIKeyOVFOYJBIJDZBLT-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.50
Rot. Bonds4

About CID 102012554

CID 102012554 (PubChem CID 102012554) has the molecular formula C12H14NO and a molecular weight of 188.25 g/mol.

Molecular Properties

Compound NameCID 102012554
PubChem CID102012554
Molecular FormulaC12H14NO
Molecular Weight188.25 g/mol
Exact Mass188.11
IUPAC Name—
SMILES[CH2]N(CCC=C)C(=O)c1ccccc1
InChIInChI=1S/C12H14NO/c1-3-4-10-13(2)12(14)11-8-6-5-7-9-11/h3,5-9H,1-2,4,10H2
InChIKeyOVFOYJBIJDZBLT-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 19367786
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Frequently Asked Questions

What is the IUPAC name of CID 102012554?
The IUPAC name of CID 102012554 (CID 102012554) is not available.
What is the SMILES notation for CID 102012554?
The canonical SMILES for CID 102012554 is [CH2]N(CCC=C)C(=O)c1ccccc1.
What is the InChIKey of CID 102012554?
The InChIKey is OVFOYJBIJDZBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO/c1-3-4-10-13(2)12(14)11-8-6-5-7-9-11/h3,5-9H,1-2,4,10H2.
What are the key properties of CID 102012554?
CID 102012554 has a molecular weight of 188.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102012554 is sourced from PubChem (CID 102012554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).