1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one

C19H20N2O2 — CID 4152307

IUPAC1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1c2ccccc2Oc2ccccc21)N1CCCC1
InChIInChI=1S/C19H20N2O2/c1-14(20-12-6-7-13-20)19(22)21-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)21/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyANQVCGSITCXQMH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.94
Rot. Bonds2

About 1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one

1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 4152307) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one
PubChem CID4152307
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1c2ccccc2Oc2ccccc21)N1CCCC1
InChIInChI=1S/C19H20N2O2/c1-14(20-12-6-7-13-20)19(22)21-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)21/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyANQVCGSITCXQMH-UHFFFAOYSA-N
XLogP3.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one (CID 4152307) is 1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1c2ccccc2Oc2ccccc21)N1CCCC1.
What is the InChIKey of 1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ANQVCGSITCXQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14(20-12-6-7-13-20)19(22)21-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)21/h2-5,8-11,14H,6-7,12-13H2,1H3.
What are the key properties of 1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one?
1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 308.38 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxazin-10-yl-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 4152307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).