10-(4-pyrrolidin-1-ylbutyl)phenoxazine

C20H24N2O — CID 10335451

IUPAC10-(4-pyrrolidin-1-ylbutyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2CCCCN1CCCC1
InChIInChI=1S/C20H24N2O/c1-3-11-19-17(9-1)22(18-10-2-4-12-20(18)23-19)16-8-7-15-21-13-5-6-14-21/h1-4,9-12H,5-8,13-16H2
InChIKeyPBHLXXNCNOMPMA-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.81
Rot. Bonds5

About 10-(4-pyrrolidin-1-ylbutyl)phenoxazine

10-(4-pyrrolidin-1-ylbutyl)phenoxazine (PubChem CID 10335451) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 10-(4-pyrrolidin-1-ylbutyl)phenoxazine.

Molecular Properties

Compound Name10-(4-pyrrolidin-1-ylbutyl)phenoxazine
PubChem CID10335451
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name10-(4-pyrrolidin-1-ylbutyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2CCCCN1CCCC1
InChIInChI=1S/C20H24N2O/c1-3-11-19-17(9-1)22(18-10-2-4-12-20(18)23-19)16-8-7-15-21-13-5-6-14-21/h1-4,9-12H,5-8,13-16H2
InChIKeyPBHLXXNCNOMPMA-UHFFFAOYSA-N
XLogP4.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(4-pyrrolidin-1-ylbutyl)phenoxazine?
The IUPAC name of 10-(4-pyrrolidin-1-ylbutyl)phenoxazine (CID 10335451) is 10-(4-pyrrolidin-1-ylbutyl)phenoxazine.
What is the SMILES notation for 10-(4-pyrrolidin-1-ylbutyl)phenoxazine?
The canonical SMILES for 10-(4-pyrrolidin-1-ylbutyl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2CCCCN1CCCC1.
What is the InChIKey of 10-(4-pyrrolidin-1-ylbutyl)phenoxazine?
The InChIKey is PBHLXXNCNOMPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-11-19-17(9-1)22(18-10-2-4-12-20(18)23-19)16-8-7-15-21-13-5-6-14-21/h1-4,9-12H,5-8,13-16H2.
What are the key properties of 10-(4-pyrrolidin-1-ylbutyl)phenoxazine?
10-(4-pyrrolidin-1-ylbutyl)phenoxazine has a molecular weight of 308.43 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-pyrrolidin-1-ylbutyl)phenoxazine is sourced from PubChem (CID 10335451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).