3-but-2-enoxypyrrolidine

C8H15NO — CID 76939860

IUPAC3-but-2-enoxypyrrolidine
SMILESCC=CCOC1CCNC1
InChIInChI=1S/C8H15NO/c1-2-3-6-10-8-4-5-9-7-8/h2-3,8-9H,4-7H2,1H3
InChIKeyJTGNPMNEWOPKKV-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About 3-but-2-enoxypyrrolidine

3-but-2-enoxypyrrolidine (PubChem CID 76939860) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-but-2-enoxypyrrolidine.

Molecular Properties

Compound Name3-but-2-enoxypyrrolidine
PubChem CID76939860
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-but-2-enoxypyrrolidine
SMILESCC=CCOC1CCNC1
InChIInChI=1S/C8H15NO/c1-2-3-6-10-8-4-5-9-7-8/h2-3,8-9H,4-7H2,1H3
InChIKeyJTGNPMNEWOPKKV-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Prop-2-en-1-yloxy)pyrrolidine hydrochloride
CID 45075459
(3S)-3-(prop-2-en-1-yloxy)pyrrolidine hydrochloride
CID 132398761
(3S)-3-(prop-2-en-1-yloxy)pyrrolidine
CID 26191822
3-[(2Z,4E)-5-fluoro-2-methoxyhexa-2,4-dien-3-yl]oxypyrrolidine
CID 144854899
3-Fluoro-4-(prop-2-en-1-yloxy)pyrrolidine
CID 168016825
(3R)-3-(prop-2-en-1-yloxy)pyrrolidine
CID 26191819
3-(Prop-2-en-1-yloxy)pyrrolidine
CID 45075460
N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine
CID 58451736
N-ethyl-2-prop-2-enoxybutan-1-amine
CID 62442447
2-Ethenyl-5-ethyl-1,3-oxazolidine
CID 68829548
3-Hexa-1,3,5-trien-3-yloxypyrrolidine
CID 123371130
3-Buta-1,3-dien-2-yloxypyrrolidine
CID 123866298

Frequently Asked Questions

What is the IUPAC name of 3-but-2-enoxypyrrolidine?
The IUPAC name of 3-but-2-enoxypyrrolidine (CID 76939860) is 3-but-2-enoxypyrrolidine.
What is the SMILES notation for 3-but-2-enoxypyrrolidine?
The canonical SMILES for 3-but-2-enoxypyrrolidine is CC=CCOC1CCNC1.
What is the InChIKey of 3-but-2-enoxypyrrolidine?
The InChIKey is JTGNPMNEWOPKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-6-10-8-4-5-9-7-8/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 3-but-2-enoxypyrrolidine?
3-but-2-enoxypyrrolidine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enoxypyrrolidine is sourced from PubChem (CID 76939860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).