(2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine

C14H25NO — CID 143664316

IUPAC(2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine
SMILESC/C=C(/OC1CCCC1)[C@@H]1CCCN1CC
InChIInChI=1S/C14H25NO/c1-3-14(16-12-8-5-6-9-12)13-10-7-11-15(13)4-2/h3,12-13H,4-11H2,1-2H3/b14-3+/t13-/m0/s1
InChIKeyVNQCQNAQWLMBRN-WMDOLHMFSA-N
MW223.36 g/mol
LogP3.33
Rot. Bonds4

About (2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine

(2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine (PubChem CID 143664316) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine
PubChem CID143664316
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine
SMILESC/C=C(/OC1CCCC1)[C@@H]1CCCN1CC
InChIInChI=1S/C14H25NO/c1-3-14(16-12-8-5-6-9-12)13-10-7-11-15(13)4-2/h3,12-13H,4-11H2,1-2H3/b14-3+/t13-/m0/s1
InChIKeyVNQCQNAQWLMBRN-WMDOLHMFSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Hipzjvzlcdaihx-qpjjxvbhsa-
CID 13464679
7-(1-ethoxyethoxy)-2,3,5,8-tetrahydro-1H-pyrrolizine
CID 14701676
(2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
CID 102375984
(2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine
CID 89143488
2-(1-Ethoxyethenyl)-1-propan-2-ylpyrrolidine
CID 118501499
(2S)-2-(1-cyclopentyloxyethenyl)-1-methylpyrrolidine
CID 143574418
2-(1-Cyclopentyloxyethenyl)-1-methylpyrrolidine
CID 143574565
(2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine
CID 143578376
2-(1-Cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine
CID 143652638
2-(1-Cyclopentyloxyethenyl)-1-ethylpyrrolidine
CID 143660411
(2S)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine
CID 147822137
(2R)-2-[[(Z)-but-2-en-2-yl]oxymethyl]-1-methylpyrrolidine
CID 158548625

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine?
The IUPAC name of (2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine (CID 143664316) is (2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine.
What is the SMILES notation for (2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine?
The canonical SMILES for (2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine is C/C=C(/OC1CCCC1)[C@@H]1CCCN1CC.
What is the InChIKey of (2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine?
The InChIKey is VNQCQNAQWLMBRN-WMDOLHMFSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-14(16-12-8-5-6-9-12)13-10-7-11-15(13)4-2/h3,12-13H,4-11H2,1-2H3/b14-3+/t13-/m0/s1.
What are the key properties of (2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine?
(2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine has a molecular weight of 223.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine is sourced from PubChem (CID 143664316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).