(2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride

C7H14ClNO — CID 142656328

IUPAC(2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride
SMILESCCN1CCC[C@H]1C=O.Cl
InChIInChI=1S/C7H13NO.ClH/c1-2-8-5-3-4-7(8)6-9;/h6-7H,2-5H2,1H3;1H/t7-;/m0./s1
InChIKeyVHJDVLUKRVGXTO-FJXQXJEOSA-N
MW163.65 g/mol
LogP1.09
Rot. Bonds2

About (2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride

(2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride (PubChem CID 142656328) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name(2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride
PubChem CID142656328
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride
SMILESCCN1CCC[C@H]1C=O.Cl
InChIInChI=1S/C7H13NO.ClH/c1-2-8-5-3-4-7(8)6-9;/h6-7H,2-5H2,1H3;1H/t7-;/m0./s1
InChIKeyVHJDVLUKRVGXTO-FJXQXJEOSA-N
XLogP1.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[(2S)-1-ethylpyrrolidin-2-yl]but-3-en-2-one
CID 177231365
1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde
CID 102567892
S-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine
CID 154648169
1-hexylpiperidine-2-carbaldehyde
CID 62655866
1-heptylpiperidine-2-carbaldehyde
CID 62655864
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbaldehyde
CID 84665895
(2S)-1-(2-cyclopropylideneethyl)pyrrolidine-2-carbaldehyde
CID 45115948
(2S)-1-[[(2S,3S)-3-ethylpyrrolidin-2-yl]methyl]pyrrolidine-2-carbaldehyde
CID 22872479
N-ethyl-2-(2-formylpiperidin-1-yl)acetamide
CID 62655143
1-ethylsulfonylpyrrolidine-2-carbaldehyde
CID 55269064
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde
CID 104566931

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride?
The IUPAC name of (2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride (CID 142656328) is (2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride.
What is the SMILES notation for (2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride?
The canonical SMILES for (2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride is CCN1CCC[C@H]1C=O.Cl.
What is the InChIKey of (2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride?
The InChIKey is VHJDVLUKRVGXTO-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-2-8-5-3-4-7(8)6-9;/h6-7H,2-5H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride?
(2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride is sourced from PubChem (CID 142656328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).