1-benzhydryl-3-but-2-enoxyazetidine

C20H23NO — CID 67154585

IUPAC1-benzhydryl-3-but-2-enoxyazetidine
SMILESCC=CCOC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO/c1-2-3-14-22-19-15-21(16-19)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h2-13,19-20H,14-16H2,1H3
InChIKeySSCJXXDUWOZRKX-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.05
Rot. Bonds6

About 1-benzhydryl-3-but-2-enoxyazetidine

1-benzhydryl-3-but-2-enoxyazetidine (PubChem CID 67154585) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-benzhydryl-3-but-2-enoxyazetidine.

Molecular Properties

Compound Name1-benzhydryl-3-but-2-enoxyazetidine
PubChem CID67154585
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-benzhydryl-3-but-2-enoxyazetidine
SMILESCC=CCOC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO/c1-2-3-14-22-19-15-21(16-19)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h2-13,19-20H,14-16H2,1H3
InChIKeySSCJXXDUWOZRKX-UHFFFAOYSA-N
XLogP4.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzhydrylazetidin-3-yl)oxyethanol
CID 142434667
1-benzhydryl-3-phenylmethoxyazetidine;iodomethane;3-phenylmethoxyazetidine
CID 161361282
(1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate
CID 90844894
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
1-benzhydryl-3-(chloromethyl)azetidine
CID 15015453
2-(1-benzhydrylazetidin-3-yl)acetaldehyde
CID 58739272
ethyl 1-benzhydrylazetidine-3-carboxylate
CID 3300764
1-benzhydryl-3-(oxolan-3-yloxy)azetidine
CID 139563500
[1-amino-3-(1-benzhydrylazetidin-3-yl)oxy-3-oxopropylidene]-methylazanium
CID 163486748
1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene
CID 171730184
1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine
CID 118370203
(1-benzhydrylazetidin-3-yl) 3-amino-3-butan-2-yloxyprop-2-enoate
CID 139794344

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-but-2-enoxyazetidine?
The IUPAC name of 1-benzhydryl-3-but-2-enoxyazetidine (CID 67154585) is 1-benzhydryl-3-but-2-enoxyazetidine.
What is the SMILES notation for 1-benzhydryl-3-but-2-enoxyazetidine?
The canonical SMILES for 1-benzhydryl-3-but-2-enoxyazetidine is CC=CCOC1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-3-but-2-enoxyazetidine?
The InChIKey is SSCJXXDUWOZRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-3-14-22-19-15-21(16-19)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h2-13,19-20H,14-16H2,1H3.
What are the key properties of 1-benzhydryl-3-but-2-enoxyazetidine?
1-benzhydryl-3-but-2-enoxyazetidine has a molecular weight of 293.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-but-2-enoxyazetidine is sourced from PubChem (CID 67154585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).