CID 172790192

C6H7NNaO — CID 172790192

IUPAC—
SMILESO=C1C[C@H]2CC=CN12.[Na]
InChIInChI=1S/C6H7NO.Na/c8-6-4-5-2-1-3-7(5)6;/h1,3,5H,2,4H2;/t5-;/m1./s1
InChIKeyPLQZQEVQLGHUET-NUBCRITNSA-N
MW132.12 g/mol
LogP0.12
Rot. Bonds

About CID 172790192

CID 172790192 (PubChem CID 172790192) has the molecular formula C6H7NNaO and a molecular weight of 132.12 g/mol.

Molecular Properties

Compound NameCID 172790192
PubChem CID172790192
Molecular FormulaC6H7NNaO
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name—
SMILESO=C1C[C@H]2CC=CN12.[Na]
InChIInChI=1S/C6H7NO.Na/c8-6-4-5-2-1-3-7(5)6;/h1,3,5H,2,4H2;/t5-;/m1./s1
InChIKeyPLQZQEVQLGHUET-NUBCRITNSA-N
XLogP0.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 90829284
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4-chloro-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 175222359
(5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
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Frequently Asked Questions

What is the IUPAC name of CID 172790192?
The IUPAC name of CID 172790192 (CID 172790192) is not available.
What is the SMILES notation for CID 172790192?
The canonical SMILES for CID 172790192 is O=C1C[C@H]2CC=CN12.[Na].
What is the InChIKey of CID 172790192?
The InChIKey is PLQZQEVQLGHUET-NUBCRITNSA-N. The full InChI is InChI=1S/C6H7NO.Na/c8-6-4-5-2-1-3-7(5)6;/h1,3,5H,2,4H2;/t5-;/m1./s1.
What are the key properties of CID 172790192?
CID 172790192 has a molecular weight of 132.12 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172790192 is sourced from PubChem (CID 172790192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).