CID 173395038

C9H19N3NaO2 — CID 173395038

IUPAC—
SMILESC=CCC(C(=O)O)N(CCN)CCN.[Na]
InChIInChI=1S/C9H19N3O2.Na/c1-2-3-8(9(13)14)12(6-4-10)7-5-11;/h2,8H,1,3-7,10-11H2,(H,13,14);
InChIKeyPJRBCHAZYOFXIF-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.15
Rot. Bonds8

About CID 173395038

CID 173395038 (PubChem CID 173395038) has the molecular formula C9H19N3NaO2 and a molecular weight of 224.26 g/mol.

Molecular Properties

Compound NameCID 173395038
PubChem CID173395038
Molecular FormulaC9H19N3NaO2
Molecular Weight224.26 g/mol
Exact Mass224.14
IUPAC Name—
SMILESC=CCC(C(=O)O)N(CCN)CCN.[Na]
InChIInChI=1S/C9H19N3O2.Na/c1-2-3-8(9(13)14)12(6-4-10)7-5-11;/h2,8H,1,3-7,10-11H2,(H,13,14);
InChIKeyPJRBCHAZYOFXIF-UHFFFAOYSA-N
XLogP-1.15
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173395038?
The IUPAC name of CID 173395038 (CID 173395038) is not available.
What is the SMILES notation for CID 173395038?
The canonical SMILES for CID 173395038 is C=CCC(C(=O)O)N(CCN)CCN.[Na].
What is the InChIKey of CID 173395038?
The InChIKey is PJRBCHAZYOFXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.Na/c1-2-3-8(9(13)14)12(6-4-10)7-5-11;/h2,8H,1,3-7,10-11H2,(H,13,14);.
What are the key properties of CID 173395038?
CID 173395038 has a molecular weight of 224.26 g/mol, XLogP of -1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173395038 is sourced from PubChem (CID 173395038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).