CID 91986678

C10H16LiN2O2 — CID 91986678

IUPAC—
SMILESCN1CCN(CCC#CC(=O)O)CC1.[Li]
InChIInChI=1S/C10H16N2O2.Li/c1-11-6-8-12(9-7-11)5-3-2-4-10(13)14;/h3,5-9H2,1H3,(H,13,14);
InChIKeyHAUJPHLOKOWTCK-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.67
Rot. Bonds2

About CID 91986678

CID 91986678 (PubChem CID 91986678) has the molecular formula C10H16LiN2O2 and a molecular weight of 203.19 g/mol.

Molecular Properties

Compound NameCID 91986678
PubChem CID91986678
Molecular FormulaC10H16LiN2O2
Molecular Weight203.19 g/mol
Exact Mass203.14
IUPAC Name—
SMILESCN1CCN(CCC#CC(=O)O)CC1.[Li]
InChIInChI=1S/C10H16N2O2.Li/c1-11-6-8-12(9-7-11)5-3-2-4-10(13)14;/h3,5-9H2,1H3,(H,13,14);
InChIKeyHAUJPHLOKOWTCK-UHFFFAOYSA-N
XLogP-0.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 91986678?
The IUPAC name of CID 91986678 (CID 91986678) is not available.
What is the SMILES notation for CID 91986678?
The canonical SMILES for CID 91986678 is CN1CCN(CCC#CC(=O)O)CC1.[Li].
What is the InChIKey of CID 91986678?
The InChIKey is HAUJPHLOKOWTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.Li/c1-11-6-8-12(9-7-11)5-3-2-4-10(13)14;/h3,5-9H2,1H3,(H,13,14);.
What are the key properties of CID 91986678?
CID 91986678 has a molecular weight of 203.19 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91986678 is sourced from PubChem (CID 91986678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).