CID 175929992

C10H13N3NaO5 — CID 175929992

IUPAC—
SMILESCN1C=CC(=O)C(NC(=O)NCCC(=O)O)C1=O.[Na]
InChIInChI=1S/C10H13N3O5.Na/c1-13-5-3-6(14)8(9(13)17)12-10(18)11-4-2-7(15)16;/h3,5,8H,2,4H2,1H3,(H,15,16)(H2,11,12,18);
InChIKeyIGJVBTNPEBREBM-UHFFFAOYSA-N
MW278.22 g/mol
LogP-1.70
Rot. Bonds4

About CID 175929992

CID 175929992 (PubChem CID 175929992) has the molecular formula C10H13N3NaO5 and a molecular weight of 278.22 g/mol.

Molecular Properties

Compound NameCID 175929992
PubChem CID175929992
Molecular FormulaC10H13N3NaO5
Molecular Weight278.22 g/mol
Exact Mass278.08
IUPAC Name—
SMILESCN1C=CC(=O)C(NC(=O)NCCC(=O)O)C1=O.[Na]
InChIInChI=1S/C10H13N3O5.Na/c1-13-5-3-6(14)8(9(13)17)12-10(18)11-4-2-7(15)16;/h3,5,8H,2,4H2,1H3,(H,15,16)(H2,11,12,18);
InChIKeyIGJVBTNPEBREBM-UHFFFAOYSA-N
XLogP-1.70
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175929992?
The IUPAC name of CID 175929992 (CID 175929992) is not available.
What is the SMILES notation for CID 175929992?
The canonical SMILES for CID 175929992 is CN1C=CC(=O)C(NC(=O)NCCC(=O)O)C1=O.[Na].
What is the InChIKey of CID 175929992?
The InChIKey is IGJVBTNPEBREBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5.Na/c1-13-5-3-6(14)8(9(13)17)12-10(18)11-4-2-7(15)16;/h3,5,8H,2,4H2,1H3,(H,15,16)(H2,11,12,18);.
What are the key properties of CID 175929992?
CID 175929992 has a molecular weight of 278.22 g/mol, XLogP of -1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175929992 is sourced from PubChem (CID 175929992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).