benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium

C24H26N3O2+ — CID 9445986

IUPACbenzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium
SMILESO=C(C[NH2+]C(c1ccccc1)c1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C24H25N3O2/c28-22(20-15-21(25-16-20)24(29)27-13-7-8-14-27)17-26-23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,15-16,23,25-26H,7-8,13-14,17H2/p+1
InChIKeyNOLSLUBDJLVYSL-UHFFFAOYSA-O
MW388.49 g/mol
LogP2.79
Rot. Bonds7

About benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium

benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium (PubChem CID 9445986) has the molecular formula C24H26N3O2+ and a molecular weight of 388.49 g/mol. Its IUPAC name is benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium
PubChem CID9445986
Molecular FormulaC24H26N3O2+
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Namebenzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium
SMILESO=C(C[NH2+]C(c1ccccc1)c1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C24H25N3O2/c28-22(20-15-21(25-16-20)24(29)27-13-7-8-14-27)17-26-23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,15-16,23,25-26H,7-8,13-14,17H2/p+1
InChIKeyNOLSLUBDJLVYSL-UHFFFAOYSA-O
XLogP2.79
TPSA69.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenylpiperazin-1-ium-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 9250313
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate
CID 27277776
2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 33214961
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-bromobenzoate
CID 40755229
1-[5-(azocane-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 51073647
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4-carbamoylbenzoate
CID 31805396
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 31034299
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-chlorophenoxy)acetate
CID 27237169
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-hydroxybenzoate
CID 40755615
2-[(2-bromophenyl)methylsulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 55436712
2-piperidin-1-ium-1-yl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 9249698
3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide
CID 47056405

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium?
The IUPAC name of benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium (CID 9445986) is benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium.
What is the SMILES notation for benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium?
The canonical SMILES for benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium is O=C(C[NH2+]C(c1ccccc1)c1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium?
The InChIKey is NOLSLUBDJLVYSL-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N3O2/c28-22(20-15-21(25-16-20)24(29)27-13-7-8-14-27)17-26-23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,15-16,23,25-26H,7-8,13-14,17H2/p+1.
What are the key properties of benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium?
benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium has a molecular weight of 388.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium is sourced from PubChem (CID 9445986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).