CID 178010213

C10H15N3O+ — CID 178010213

IUPAC—
SMILESC/C=C/CNC(=O)CC1=N[CH][N+](C)=C1
InChIInChI=1S/C10H15N3O/c1-3-4-5-11-10(14)6-9-7-13(2)8-12-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,14)/q+1/b4-3+
InChIKeyKTHSWNYMTYYTOU-ONEGZZNKSA-N
MW193.25 g/mol
LogP0.36
Rot. Bonds4

About CID 178010213

CID 178010213 (PubChem CID 178010213) has the molecular formula C10H15N3O+ and a molecular weight of 193.25 g/mol.

Molecular Properties

Compound NameCID 178010213
PubChem CID178010213
Molecular FormulaC10H15N3O+
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name—
SMILESC/C=C/CNC(=O)CC1=N[CH][N+](C)=C1
InChIInChI=1S/C10H15N3O/c1-3-4-5-11-10(14)6-9-7-13(2)8-12-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,14)/q+1/b4-3+
InChIKeyKTHSWNYMTYYTOU-ONEGZZNKSA-N
XLogP0.36
TPSA44.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 178010213?
The IUPAC name of CID 178010213 (CID 178010213) is not available.
What is the SMILES notation for CID 178010213?
The canonical SMILES for CID 178010213 is C/C=C/CNC(=O)CC1=N[CH][N+](C)=C1.
What is the InChIKey of CID 178010213?
The InChIKey is KTHSWNYMTYYTOU-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-4-5-11-10(14)6-9-7-13(2)8-12-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,14)/q+1/b4-3+.
What are the key properties of CID 178010213?
CID 178010213 has a molecular weight of 193.25 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178010213 is sourced from PubChem (CID 178010213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).