(3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine

C21H24N2O — CID 146369999

IUPAC(3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine
SMILESCCC/C=c1/cc2c(cc1C)=Nc1ccc(N3CCCC3)cc1O2
InChIInChI=1S/C21H24N2O/c1-3-4-7-16-13-20-19(12-15(16)2)22-18-9-8-17(14-21(18)24-20)23-10-5-6-11-23/h7-9,12-14H,3-6,10-11H2,1-2H3/b16-7-
InChIKeyIPUUCPXEOLCHMO-APSNUPSMSA-N
MW320.44 g/mol
LogP4.23
Rot. Bonds3

About (3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine

(3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine (PubChem CID 146369999) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine.

Molecular Properties

Compound Name(3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine
PubChem CID146369999
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine
SMILESCCC/C=c1/cc2c(cc1C)=Nc1ccc(N3CCCC3)cc1O2
InChIInChI=1S/C21H24N2O/c1-3-4-7-16-13-20-19(12-15(16)2)22-18-9-8-17(14-21(18)24-20)23-10-5-6-11-23/h7-9,12-14H,3-6,10-11H2,1-2H3/b16-7-
InChIKeyIPUUCPXEOLCHMO-APSNUPSMSA-N
XLogP4.23
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 60640535
2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide
CID 154577359
2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole
CID 168514211
[4-(azepan-1-yl)-2-methylphenyl]methanol
CID 62136548
10-methyl-8-methylidene-2-piperidin-1-yl-10-propylbenzo[b][1,4]benzazasiline
CID 157236071
4-(2,2,4-trimethyl-9-pyrrolidin-1-yl-12aH-pyrido[3,2-b]phenoxazin-1-yl)butanoic acid
CID 59120251
2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 958834
N-ethyl-3-methyl-6-piperidin-1-ylquinolin-2-amine
CID 63232032
N-[[4-(azocan-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62134161
(1S)-1-(2-methyl-4-pyrrolidin-1-ylphenyl)ethane-1,2-diamine
CID 66517550
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine?
The IUPAC name of (3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine (CID 146369999) is (3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine.
What is the SMILES notation for (3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine?
The canonical SMILES for (3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine is CCC/C=c1/cc2c(cc1C)=Nc1ccc(N3CCCC3)cc1O2.
What is the InChIKey of (3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine?
The InChIKey is IPUUCPXEOLCHMO-APSNUPSMSA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-4-7-16-13-20-19(12-15(16)2)22-18-9-8-17(14-21(18)24-20)23-10-5-6-11-23/h7-9,12-14H,3-6,10-11H2,1-2H3/b16-7-.
What are the key properties of (3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine?
(3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine has a molecular weight of 320.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-butylidene-2-methyl-7-pyrrolidin-1-ylphenoxazine is sourced from PubChem (CID 146369999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).