CID 10741472

C15H24NOSe — CID 10741472

IUPAC—
SMILESCCC1OCC[C@H]1[Se][C]1[CH][CH][CH][C]1[C@@H](C)N(C)C
InChIInChI=1S/C15H24NOSe/c1-5-13-15(9-10-17-13)18-14-8-6-7-12(14)11(2)16(3)4/h6-8,11,13,15H,5,9-10H2,1-4H3/t11-,13?,15-/m1/s1
InChIKeyKBEICDMNOWSEKM-IMORHIPNSA-N
MW313.32 g/mol
LogP2.36
Rot. Bonds5

About CID 10741472

CID 10741472 (PubChem CID 10741472) has the molecular formula C15H24NOSe and a molecular weight of 313.32 g/mol.

Molecular Properties

Compound NameCID 10741472
PubChem CID10741472
Molecular FormulaC15H24NOSe
Molecular Weight313.32 g/mol
Exact Mass314.10
IUPAC Name—
SMILESCCC1OCC[C@H]1[Se][C]1[CH][CH][CH][C]1[C@@H](C)N(C)C
InChIInChI=1S/C15H24NOSe/c1-5-13-15(9-10-17-13)18-14-8-6-7-12(14)11(2)16(3)4/h6-8,11,13,15H,5,9-10H2,1-4H3/t11-,13?,15-/m1/s1
InChIKeyKBEICDMNOWSEKM-IMORHIPNSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10741472?
The IUPAC name of CID 10741472 (CID 10741472) is not available.
What is the SMILES notation for CID 10741472?
The canonical SMILES for CID 10741472 is CCC1OCC[C@H]1[Se][C]1[CH][CH][CH][C]1[C@@H](C)N(C)C.
What is the InChIKey of CID 10741472?
The InChIKey is KBEICDMNOWSEKM-IMORHIPNSA-N. The full InChI is InChI=1S/C15H24NOSe/c1-5-13-15(9-10-17-13)18-14-8-6-7-12(14)11(2)16(3)4/h6-8,11,13,15H,5,9-10H2,1-4H3/t11-,13?,15-/m1/s1.
What are the key properties of CID 10741472?
CID 10741472 has a molecular weight of 313.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10741472 is sourced from PubChem (CID 10741472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).