(5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one

C14H25NO3 — CID 10491239

IUPAC(5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCN1C(=O)CC[C@H]1COCCOCC
InChIInChI=1S/C14H25NO3/c1-3-5-6-9-15-13(7-8-14(15)16)12-18-11-10-17-4-2/h3,13H,1,4-12H2,2H3/t13-/m0/s1
InChIKeyCJBUSLLSRVJHRV-ZDUSSCGKSA-N
MW255.36 g/mol
LogP2.00
Rot. Bonds10

About (5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one

(5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one (PubChem CID 10491239) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one
PubChem CID10491239
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCN1C(=O)CC[C@H]1COCCOCC
InChIInChI=1S/C14H25NO3/c1-3-5-6-9-15-13(7-8-14(15)16)12-18-11-10-17-4-2/h3,13H,1,4-12H2,2H3/t13-/m0/s1
InChIKeyCJBUSLLSRVJHRV-ZDUSSCGKSA-N
XLogP2.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one
CID 10797544
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hept-6-en-1-one
CID 14784817
1-[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]hept-6-en-1-one
CID 14784819
Ethyl 1-but-3-en-2-yl-5-oxopyrrolidine-2-carboxylate
CID 14443705
5-(Prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one
CID 21685442
(5S)-5-(prop-2-enoxymethyl)-1-prop-2-enylpyrrolidin-2-one
CID 54409190
1-(2-Methoxyethyl)-5-prop-2-enylpyrrolidin-2-one
CID 58550039
(4S)-3-methyl-4-prop-2-enyl-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-one
CID 141559584
1-[(2S,4S)-4-ethenyl-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 146359269
1-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10944577
ethyl (2S)-1-but-3-en-2-yl-5-oxopyrrolidine-2-carboxylate
CID 14443706
Ethyl 1-pent-4-enoylpyrrolidine-2-carboxylate
CID 62677994

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one (CID 10491239) is (5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one is C=CCCCN1C(=O)CC[C@H]1COCCOCC.
What is the InChIKey of (5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one?
The InChIKey is CJBUSLLSRVJHRV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-5-6-9-15-13(7-8-14(15)16)12-18-11-10-17-4-2/h3,13H,1,4-12H2,2H3/t13-/m0/s1.
What are the key properties of (5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one?
(5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 2.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-ethoxyethoxymethyl)-1-pent-4-enylpyrrolidin-2-one is sourced from PubChem (CID 10491239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).