CID 11702232

C12H10NO — CID 11702232

IUPAC—
SMILESCc1cnccc1[C]1[CH][CH][CH][C]1C=O
InChIInChI=1S/C12H10NO/c1-9-7-13-6-5-11(9)12-4-2-3-10(12)8-14/h2-8H,1H3
InChIKeyFGNIXEOBODGBIG-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.71
Rot. Bonds2

About CID 11702232

CID 11702232 (PubChem CID 11702232) has the molecular formula C12H10NO and a molecular weight of 184.22 g/mol.

Molecular Properties

Compound NameCID 11702232
PubChem CID11702232
Molecular FormulaC12H10NO
Molecular Weight184.22 g/mol
Exact Mass184.08
IUPAC Name—
SMILESCc1cnccc1[C]1[CH][CH][CH][C]1C=O
InChIInChI=1S/C12H10NO/c1-9-7-13-6-5-11(9)12-4-2-3-10(12)8-14/h2-8H,1H3
InChIKeyFGNIXEOBODGBIG-UHFFFAOYSA-N
XLogP1.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11702232?
The IUPAC name of CID 11702232 (CID 11702232) is not available.
What is the SMILES notation for CID 11702232?
The canonical SMILES for CID 11702232 is Cc1cnccc1[C]1[CH][CH][CH][C]1C=O.
What is the InChIKey of CID 11702232?
The InChIKey is FGNIXEOBODGBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10NO/c1-9-7-13-6-5-11(9)12-4-2-3-10(12)8-14/h2-8H,1H3.
What are the key properties of CID 11702232?
CID 11702232 has a molecular weight of 184.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11702232 is sourced from PubChem (CID 11702232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).