CID 58998107

C10H17N3O — CID 58998107

IUPAC—
SMILES[CH]NC(=O)/C=C/CN1CCN(C)CC1
InChIInChI=1S/C10H17N3O/c1-11-10(14)4-3-5-13-8-6-12(2)7-9-13/h1,3-4H,5-9H2,2H3,(H,11,14)/b4-3+
InChIKeyYMNHZBJDTKTDDL-ONEGZZNKSA-N
MW195.27 g/mol
LogP-0.43
Rot. Bonds3

About CID 58998107

CID 58998107 (PubChem CID 58998107) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol.

Molecular Properties

Compound NameCID 58998107
PubChem CID58998107
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name—
SMILES[CH]NC(=O)/C=C/CN1CCN(C)CC1
InChIInChI=1S/C10H17N3O/c1-11-10(14)4-3-5-13-8-6-12(2)7-9-13/h1,3-4H,5-9H2,2H3,(H,11,14)/b4-3+
InChIKeyYMNHZBJDTKTDDL-ONEGZZNKSA-N
XLogP-0.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58998107?
The IUPAC name of CID 58998107 (CID 58998107) is not available.
What is the SMILES notation for CID 58998107?
The canonical SMILES for CID 58998107 is [CH]NC(=O)/C=C/CN1CCN(C)CC1.
What is the InChIKey of CID 58998107?
The InChIKey is YMNHZBJDTKTDDL-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17N3O/c1-11-10(14)4-3-5-13-8-6-12(2)7-9-13/h1,3-4H,5-9H2,2H3,(H,11,14)/b4-3+.
What are the key properties of CID 58998107?
CID 58998107 has a molecular weight of 195.27 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998107 is sourced from PubChem (CID 58998107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).