CID 172816971

C5H9LiNO — CID 172816971

IUPAC—
SMILESO=C1CCCCN1.[Li]
InChIInChI=1S/C5H9NO.Li/c7-5-3-1-2-4-6-5;/h1-4H2,(H,6,7);
InChIKeySXZJPURSWLYYOP-UHFFFAOYSA-N
MW106.07 g/mol
LogP-0.09
Rot. Bonds

About CID 172816971

CID 172816971 (PubChem CID 172816971) has the molecular formula C5H9LiNO and a molecular weight of 106.07 g/mol.

Molecular Properties

Compound NameCID 172816971
PubChem CID172816971
Molecular FormulaC5H9LiNO
Molecular Weight106.07 g/mol
Exact Mass106.08
IUPAC Name—
SMILESO=C1CCCCN1.[Li]
InChIInChI=1S/C5H9NO.Li/c7-5-3-1-2-4-6-5;/h1-4H2,(H,6,7);
InChIKeySXZJPURSWLYYOP-UHFFFAOYSA-N
XLogP-0.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.07
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172816971?
The IUPAC name of CID 172816971 (CID 172816971) is not available.
What is the SMILES notation for CID 172816971?
The canonical SMILES for CID 172816971 is O=C1CCCCN1.[Li].
What is the InChIKey of CID 172816971?
The InChIKey is SXZJPURSWLYYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.Li/c7-5-3-1-2-4-6-5;/h1-4H2,(H,6,7);.
What are the key properties of CID 172816971?
CID 172816971 has a molecular weight of 106.07 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172816971 is sourced from PubChem (CID 172816971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).