CID 172830117

C6H15NNaO — CID 172830117

IUPAC—
SMILESC1CCOC1.CNC.[Na]
InChIInChI=1S/C4H8O.C2H7N.Na/c1-2-4-5-3-1;1-3-2;/h1-4H2;3H,1-2H3;
InChIKeyVKBARRDTXUEGGY-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.25
Rot. Bonds

About CID 172830117

CID 172830117 (PubChem CID 172830117) has the molecular formula C6H15NNaO and a molecular weight of 140.18 g/mol.

Molecular Properties

Compound NameCID 172830117
PubChem CID172830117
Molecular FormulaC6H15NNaO
Molecular Weight140.18 g/mol
Exact Mass140.11
IUPAC Name—
SMILESC1CCOC1.CNC.[Na]
InChIInChI=1S/C4H8O.C2H7N.Na/c1-2-4-5-3-1;1-3-2;/h1-4H2;3H,1-2H3;
InChIKeyVKBARRDTXUEGGY-UHFFFAOYSA-N
XLogP0.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57048709
oxane;oxepane;oxocane;oxolane
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cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxacycloheptadecane
CID 22011753
oxolane;titanium
CID 160710512
cyclohexane;oxane
CID 20574508
oxolane;oxonane
CID 159283889

Frequently Asked Questions

What is the IUPAC name of CID 172830117?
The IUPAC name of CID 172830117 (CID 172830117) is not available.
What is the SMILES notation for CID 172830117?
The canonical SMILES for CID 172830117 is C1CCOC1.CNC.[Na].
What is the InChIKey of CID 172830117?
The InChIKey is VKBARRDTXUEGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C2H7N.Na/c1-2-4-5-3-1;1-3-2;/h1-4H2;3H,1-2H3;.
What are the key properties of CID 172830117?
CID 172830117 has a molecular weight of 140.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172830117 is sourced from PubChem (CID 172830117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).