phenothiazin-10-yl(pyrrolidin-1-yl)methanone

C17H16N2OS — CID 705773

IUPACphenothiazin-10-yl(pyrrolidin-1-yl)methanone
SMILESO=C(N1CCCC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H16N2OS/c20-17(18-11-5-6-12-18)19-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)19/h1-4,7-10H,5-6,11-12H2
InChIKeyIHPFEJWVFJCIQK-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.51
Rot. Bonds

About phenothiazin-10-yl(pyrrolidin-1-yl)methanone

phenothiazin-10-yl(pyrrolidin-1-yl)methanone (PubChem CID 705773) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is phenothiazin-10-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namephenothiazin-10-yl(pyrrolidin-1-yl)methanone
PubChem CID705773
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Namephenothiazin-10-yl(pyrrolidin-1-yl)methanone
SMILESO=C(N1CCCC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H16N2OS/c20-17(18-11-5-6-12-18)19-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)19/h1-4,7-10H,5-6,11-12H2
InChIKeyIHPFEJWVFJCIQK-UHFFFAOYSA-N
XLogP4.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenothiazin-10-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of phenothiazin-10-yl(pyrrolidin-1-yl)methanone (CID 705773) is phenothiazin-10-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for phenothiazin-10-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for phenothiazin-10-yl(pyrrolidin-1-yl)methanone is O=C(N1CCCC1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of phenothiazin-10-yl(pyrrolidin-1-yl)methanone?
The InChIKey is IHPFEJWVFJCIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-17(18-11-5-6-12-18)19-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)19/h1-4,7-10H,5-6,11-12H2.
What are the key properties of phenothiazin-10-yl(pyrrolidin-1-yl)methanone?
phenothiazin-10-yl(pyrrolidin-1-yl)methanone has a molecular weight of 296.39 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenothiazin-10-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 705773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).