CID 155934035

C11H13NO- — CID 155934035

IUPAC—
SMILESCN(C)C(=O)[CH]/C=C1/C=CC=C[CH-]1
InChIInChI=1S/C11H13NO/c1-12(2)11(13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/q-1
InChIKeyGFLGHZOBGBGTMN-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.54
Rot. Bonds2

About CID 155934035

CID 155934035 (PubChem CID 155934035) has the molecular formula C11H13NO- and a molecular weight of 175.23 g/mol.

Molecular Properties

Compound NameCID 155934035
PubChem CID155934035
Molecular FormulaC11H13NO-
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name—
SMILESCN(C)C(=O)[CH]/C=C1/C=CC=C[CH-]1
InChIInChI=1S/C11H13NO/c1-12(2)11(13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/q-1
InChIKeyGFLGHZOBGBGTMN-UHFFFAOYSA-N
XLogP1.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155934035?
The IUPAC name of CID 155934035 (CID 155934035) is not available.
What is the SMILES notation for CID 155934035?
The canonical SMILES for CID 155934035 is CN(C)C(=O)[CH]/C=C1/C=CC=C[CH-]1.
What is the InChIKey of CID 155934035?
The InChIKey is GFLGHZOBGBGTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-12(2)11(13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/q-1.
What are the key properties of CID 155934035?
CID 155934035 has a molecular weight of 175.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155934035 is sourced from PubChem (CID 155934035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).