1-(3,5-dideuteriophenyl)pyrrolidine

C10H13N — CID 175933366

IUPAC1-(3,5-dideuteriophenyl)pyrrolidine
SMILES[2H]c1cc([2H])cc(N2CCCC2)c1
InChIInChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2/i2D,3D
InChIKeyVDQQJMHXZCMNMU-PBNXXWCMSA-N
MW149.23 g/mol
LogP2.29
Rot. Bonds1

About 1-(3,5-dideuteriophenyl)pyrrolidine

1-(3,5-dideuteriophenyl)pyrrolidine (PubChem CID 175933366) has the molecular formula C10H13N and a molecular weight of 149.23 g/mol. Its IUPAC name is 1-(3,5-dideuteriophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,5-dideuteriophenyl)pyrrolidine
PubChem CID175933366
Molecular FormulaC10H13N
Molecular Weight149.23 g/mol
Exact Mass149.12
IUPAC Name1-(3,5-dideuteriophenyl)pyrrolidine
SMILES[2H]c1cc([2H])cc(N2CCCC2)c1
InChIInChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2/i2D,3D
InChIKeyVDQQJMHXZCMNMU-PBNXXWCMSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-pyrrolidin-1-ylpyridin-1-ium bromide
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lithium 1-phenylpyrrolidine
CID 177424093
4-piperidin-1-ylpyridin-1-ium
CID 5251844
4-pyrrolidin-1-ylpyridin-1-ium iodide
CID 71117930
1-phenylpiperidine;phosphenous acid
CID 174871848
carbamic acid;1-phenylpiperidine
CID 161473217
phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene
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4-(azepan-1-yl)aniline;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dideuteriophenyl)pyrrolidine?
The IUPAC name of 1-(3,5-dideuteriophenyl)pyrrolidine (CID 175933366) is 1-(3,5-dideuteriophenyl)pyrrolidine.
What is the SMILES notation for 1-(3,5-dideuteriophenyl)pyrrolidine?
The canonical SMILES for 1-(3,5-dideuteriophenyl)pyrrolidine is [2H]c1cc([2H])cc(N2CCCC2)c1.
What is the InChIKey of 1-(3,5-dideuteriophenyl)pyrrolidine?
The InChIKey is VDQQJMHXZCMNMU-PBNXXWCMSA-N. The full InChI is InChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2/i2D,3D.
What are the key properties of 1-(3,5-dideuteriophenyl)pyrrolidine?
1-(3,5-dideuteriophenyl)pyrrolidine has a molecular weight of 149.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dideuteriophenyl)pyrrolidine is sourced from PubChem (CID 175933366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).