CID 102012562

C12H14NO — CID 102012562

IUPAC—
SMILESC=CC[CH]N(C)C(=O)c1ccccc1
InChIInChI=1S/C12H14NO/c1-3-4-10-13(2)12(14)11-8-6-5-7-9-11/h3,5-10H,1,4H2,2H3
InChIKeySGGGHBKMPSHHKM-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.50
Rot. Bonds4

About CID 102012562

CID 102012562 (PubChem CID 102012562) has the molecular formula C12H14NO and a molecular weight of 188.25 g/mol.

Molecular Properties

Compound NameCID 102012562
PubChem CID102012562
Molecular FormulaC12H14NO
Molecular Weight188.25 g/mol
Exact Mass188.11
IUPAC Name—
SMILESC=CC[CH]N(C)C(=O)c1ccccc1
InChIInChI=1S/C12H14NO/c1-3-4-10-13(2)12(14)11-8-6-5-7-9-11/h3,5-10H,1,4H2,2H3
InChIKeySGGGHBKMPSHHKM-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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Frequently Asked Questions

What is the IUPAC name of CID 102012562?
The IUPAC name of CID 102012562 (CID 102012562) is not available.
What is the SMILES notation for CID 102012562?
The canonical SMILES for CID 102012562 is C=CC[CH]N(C)C(=O)c1ccccc1.
What is the InChIKey of CID 102012562?
The InChIKey is SGGGHBKMPSHHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO/c1-3-4-10-13(2)12(14)11-8-6-5-7-9-11/h3,5-10H,1,4H2,2H3.
What are the key properties of CID 102012562?
CID 102012562 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 102012562 is sourced from PubChem (CID 102012562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).