2-benzhydrylpyrrolidine-1-carbaldehyde

C18H19NO — CID 87629183

IUPAC2-benzhydrylpyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO/c20-14-19-13-7-12-17(19)18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17-18H,7,12-13H2
InChIKeyIGBUSQCZOMGLPW-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.44
Rot. Bonds4

About 2-benzhydrylpyrrolidine-1-carbaldehyde

2-benzhydrylpyrrolidine-1-carbaldehyde (PubChem CID 87629183) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-benzhydrylpyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-benzhydrylpyrrolidine-1-carbaldehyde
PubChem CID87629183
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-benzhydrylpyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO/c20-14-19-13-7-12-17(19)18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17-18H,7,12-13H2
InChIKeyIGBUSQCZOMGLPW-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-benzhydryl-1-methylpyrrolidine
CID 71178925
4-[1-(1-formylpyrrolidin-2-yl)ethyl]benzonitrile
CID 156719849
2-(1-methoxyethyl)pyrrolidine-1-carbaldehyde
CID 170767969
4-phenyl-2-propan-2-ylpiperidine-1-carbaldehyde
CID 76543536
3-methyl-1-(1-phenylethyl)piperidine-2-carbaldehyde
CID 100994968
2-(2-benzhydrylpiperidin-1-yl)butanamide
CID 3030424
2-(2-benzhydrylpyrrolidin-1-yl)-1-thiomorpholin-4-ylethanone
CID 45488600
(2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 73158126
3-(2-benzhydrylpyrrolidin-1-yl)imino-1,1,1-trifluoro-2-methylpropan-2-ol
CID 162822876
[(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese
CID 145485125
1-[2-[nitro(phenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 58567904
(2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol
CID 125491667

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylpyrrolidine-1-carbaldehyde?
The IUPAC name of 2-benzhydrylpyrrolidine-1-carbaldehyde (CID 87629183) is 2-benzhydrylpyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-benzhydrylpyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-benzhydrylpyrrolidine-1-carbaldehyde is O=CN1CCCC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylpyrrolidine-1-carbaldehyde?
The InChIKey is IGBUSQCZOMGLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-14-19-13-7-12-17(19)18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17-18H,7,12-13H2.
What are the key properties of 2-benzhydrylpyrrolidine-1-carbaldehyde?
2-benzhydrylpyrrolidine-1-carbaldehyde has a molecular weight of 265.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 87629183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).