CID 11630594

C8H10N3O — CID 11630594

IUPAC—
SMILESC[C@@](CO)(N=[N+]=[N-])[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C8H10N3O/c1-8(6-12,10-11-9)7-4-2-3-5-7/h2-5,12H,6H2,1H3/t8-/m0/s1
InChIKeyBAEVXNSZCFBVQR-QMMMGPOBSA-N
MW164.19 g/mol
LogP1.45
Rot. Bonds3

About CID 11630594

CID 11630594 (PubChem CID 11630594) has the molecular formula C8H10N3O and a molecular weight of 164.19 g/mol.

Molecular Properties

Compound NameCID 11630594
PubChem CID11630594
Molecular FormulaC8H10N3O
Molecular Weight164.19 g/mol
Exact Mass164.08
IUPAC Name—
SMILESC[C@@](CO)(N=[N+]=[N-])[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C8H10N3O/c1-8(6-12,10-11-9)7-4-2-3-5-7/h2-5,12H,6H2,1H3/t8-/m0/s1
InChIKeyBAEVXNSZCFBVQR-QMMMGPOBSA-N
XLogP1.45
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11630594?
The IUPAC name of CID 11630594 (CID 11630594) is not available.
What is the SMILES notation for CID 11630594?
The canonical SMILES for CID 11630594 is C[C@@](CO)(N=[N+]=[N-])[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11630594?
The InChIKey is BAEVXNSZCFBVQR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10N3O/c1-8(6-12,10-11-9)7-4-2-3-5-7/h2-5,12H,6H2,1H3/t8-/m0/s1.
What are the key properties of CID 11630594?
CID 11630594 has a molecular weight of 164.19 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11630594 is sourced from PubChem (CID 11630594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).