10-(3-pyrrolidin-1-ylpropyl)phenoxazine

C19H22N2O — CID 10266473

IUPAC10-(3-pyrrolidin-1-ylpropyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2CCCN1CCCC1
InChIInChI=1S/C19H22N2O/c1-3-10-18-16(8-1)21(15-7-14-20-12-5-6-13-20)17-9-2-4-11-19(17)22-18/h1-4,8-11H,5-7,12-15H2
InChIKeyGOWVCVNGJKQHPZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.42
Rot. Bonds4

About 10-(3-pyrrolidin-1-ylpropyl)phenoxazine

10-(3-pyrrolidin-1-ylpropyl)phenoxazine (PubChem CID 10266473) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 10-(3-pyrrolidin-1-ylpropyl)phenoxazine.

Molecular Properties

Compound Name10-(3-pyrrolidin-1-ylpropyl)phenoxazine
PubChem CID10266473
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name10-(3-pyrrolidin-1-ylpropyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2CCCN1CCCC1
InChIInChI=1S/C19H22N2O/c1-3-10-18-16(8-1)21(15-7-14-20-12-5-6-13-20)17-9-2-4-11-19(17)22-18/h1-4,8-11H,5-7,12-15H2
InChIKeyGOWVCVNGJKQHPZ-UHFFFAOYSA-N
XLogP4.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(3-pyrrolidin-1-ylpropyl)phenoxazine?
The IUPAC name of 10-(3-pyrrolidin-1-ylpropyl)phenoxazine (CID 10266473) is 10-(3-pyrrolidin-1-ylpropyl)phenoxazine.
What is the SMILES notation for 10-(3-pyrrolidin-1-ylpropyl)phenoxazine?
The canonical SMILES for 10-(3-pyrrolidin-1-ylpropyl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2CCCN1CCCC1.
What is the InChIKey of 10-(3-pyrrolidin-1-ylpropyl)phenoxazine?
The InChIKey is GOWVCVNGJKQHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-10-18-16(8-1)21(15-7-14-20-12-5-6-13-20)17-9-2-4-11-19(17)22-18/h1-4,8-11H,5-7,12-15H2.
What are the key properties of 10-(3-pyrrolidin-1-ylpropyl)phenoxazine?
10-(3-pyrrolidin-1-ylpropyl)phenoxazine has a molecular weight of 294.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-pyrrolidin-1-ylpropyl)phenoxazine is sourced from PubChem (CID 10266473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).