CID 131885395

C12H12N2NaO2 — CID 131885395

IUPAC—
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC3=O.[Na]
InChIInChI=1S/C12H12N2O2.Na/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10;/h2-3,6,14H,4-5H2,1H3,(H,13,15);
InChIKeyUTYSKXLUSZXXEP-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.08
Rot. Bonds1

About CID 131885395

CID 131885395 (PubChem CID 131885395) has the molecular formula C12H12N2NaO2 and a molecular weight of 239.23 g/mol.

Molecular Properties

Compound NameCID 131885395
PubChem CID131885395
Molecular FormulaC12H12N2NaO2
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name—
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC3=O.[Na]
InChIInChI=1S/C12H12N2O2.Na/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10;/h2-3,6,14H,4-5H2,1H3,(H,13,15);
InChIKeyUTYSKXLUSZXXEP-UHFFFAOYSA-N
XLogP1.08
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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8-methoxy-6,11-dihydro-5H-benzo[a]carbazol-4-ol
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7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
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methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 159066402
8-methoxy-1,2,3,5-tetrahydrocyclopenta[b]acridin-10-one
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2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of CID 131885395?
The IUPAC name of CID 131885395 (CID 131885395) is not available.
What is the SMILES notation for CID 131885395?
The canonical SMILES for CID 131885395 is COc1ccc2[nH]c3c(c2c1)CCNC3=O.[Na].
What is the InChIKey of CID 131885395?
The InChIKey is UTYSKXLUSZXXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.Na/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10;/h2-3,6,14H,4-5H2,1H3,(H,13,15);.
What are the key properties of CID 131885395?
CID 131885395 has a molecular weight of 239.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131885395 is sourced from PubChem (CID 131885395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).