(2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde

C10H16N2O — CID 171439295

IUPAC(2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde
SMILES[3H]C1=CCN(N2CCC[C@H]2C=O)CC1
InChIInChI=1S/C10H16N2O/c13-9-10-5-4-8-12(10)11-6-2-1-3-7-11/h1-2,9-10H,3-8H2/t10-/m0/s1/i1T
InChIKeyAWFLZVFMZWGUCZ-ZCPMIHGASA-N
MW182.26 g/mol
LogP0.83
Rot. Bonds2

About (2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde

(2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde (PubChem CID 171439295) has the molecular formula C10H16N2O and a molecular weight of 182.26 g/mol. Its IUPAC name is (2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde
PubChem CID171439295
Molecular FormulaC10H16N2O
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde
SMILES[3H]C1=CCN(N2CCC[C@H]2C=O)CC1
InChIInChI=1S/C10H16N2O/c13-9-10-5-4-8-12(10)11-6-2-1-3-7-11/h1-2,9-10H,3-8H2/t10-/m0/s1/i1T
InChIKeyAWFLZVFMZWGUCZ-ZCPMIHGASA-N
XLogP0.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(E)-hex-3-enyl]pyrrolidine-2-carbaldehyde
CID 88881926
(2S)-1-[(E)-2-ethylpent-2-enyl]pyrrolidine-2-carbaldehyde
CID 121274865
1-(Cyclohexa-1,5-dien-1-ylmethyl)pyrrolidine-2-carbaldehyde
CID 142850896
(2S)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde
CID 171439296

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde (CID 171439295) is (2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde is [3H]C1=CCN(N2CCC[C@H]2C=O)CC1.
What is the InChIKey of (2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde?
The InChIKey is AWFLZVFMZWGUCZ-ZCPMIHGASA-N. The full InChI is InChI=1S/C10H16N2O/c13-9-10-5-4-8-12(10)11-6-2-1-3-7-11/h1-2,9-10H,3-8H2/t10-/m0/s1/i1T.
What are the key properties of (2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde?
(2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde has a molecular weight of 182.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-tritio-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 171439295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).