2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one

C11H11NOSe — CID 88596838

IUPAC2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1CC1CC1
InChIInChI=1S/C11H11NOSe/c13-11-9-3-1-2-4-10(9)14-12(11)7-8-5-6-8/h1-4,8H,5-7H2
InChIKeyNWBPCRZWBVQXKL-UHFFFAOYSA-N
MW252.17 g/mol
LogP1.47
Rot. Bonds2

About 2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one

2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one (PubChem CID 88596838) has the molecular formula C11H11NOSe and a molecular weight of 252.17 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one
PubChem CID88596838
Molecular FormulaC11H11NOSe
Molecular Weight252.17 g/mol
Exact Mass253.00
IUPAC Name2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1CC1CC1
InChIInChI=1S/C11H11NOSe/c13-11-9-3-1-2-4-10(9)14-12(11)7-8-5-6-8/h1-4,8H,5-7H2
InChIKeyNWBPCRZWBVQXKL-UHFFFAOYSA-N
XLogP1.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 51.47
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 2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one (CID 88596838) is 2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one?
The InChIKey is NWBPCRZWBVQXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOSe/c13-11-9-3-1-2-4-10(9)14-12(11)7-8-5-6-8/h1-4,8H,5-7H2.
What are the key properties of 2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one?
2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one has a molecular weight of 252.17 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 88596838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).