2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine

C18H18N2O2 — CID 22754310

IUPAC2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine
SMILESCOc1ccc2c(c1)N(C1=NC(C)CC1)c1ccccc1O2
InChIInChI=1S/C18H18N2O2/c1-12-7-10-18(19-12)20-14-5-3-4-6-16(14)22-17-9-8-13(21-2)11-15(17)20/h3-6,8-9,11-12H,7,10H2,1-2H3
InChIKeyKOPWREHQXATQCB-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.52
Rot. Bonds1

About 2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine

2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine (PubChem CID 22754310) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine.

Molecular Properties

Compound Name2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine
PubChem CID22754310
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine
SMILESCOc1ccc2c(c1)N(C1=NC(C)CC1)c1ccccc1O2
InChIInChI=1S/C18H18N2O2/c1-12-7-10-18(19-12)20-14-5-3-4-6-16(14)22-17-9-8-13(21-2)11-15(17)20/h3-6,8-9,11-12H,7,10H2,1-2H3
InChIKeyKOPWREHQXATQCB-UHFFFAOYSA-N
XLogP4.52
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine?
The IUPAC name of 2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine (CID 22754310) is 2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine.
What is the SMILES notation for 2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine?
The canonical SMILES for 2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine is COc1ccc2c(c1)N(C1=NC(C)CC1)c1ccccc1O2.
What is the InChIKey of 2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine?
The InChIKey is KOPWREHQXATQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-7-10-18(19-12)20-14-5-3-4-6-16(14)22-17-9-8-13(21-2)11-15(17)20/h3-6,8-9,11-12H,7,10H2,1-2H3.
What are the key properties of 2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine?
2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine has a molecular weight of 294.35 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine is sourced from PubChem (CID 22754310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).