2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol

C9H17NO — CID 123387367

IUPAC2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol
SMILESC=CC(C)C(O)C1CCCN1
InChIInChI=1S/C9H17NO/c1-3-7(2)9(11)8-5-4-6-10-8/h3,7-11H,1,4-6H2,2H3
InChIKeyYZCYVAMBYDASLK-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds3

About 2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol

2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol (PubChem CID 123387367) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol
PubChem CID123387367
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol
SMILESC=CC(C)C(O)C1CCCN1
InChIInChI=1S/C9H17NO/c1-3-7(2)9(11)8-5-4-6-10-8/h3,7-11H,1,4-6H2,2H3
InChIKeyYZCYVAMBYDASLK-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Iruleixilfztee-jgvffnpusa-
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4-[(2S)-pyrrolidin-2-yl]hepta-1,6-dien-4-ol
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[(2S,4R)-4-prop-2-enylpyrrolidin-2-yl]methanol
CID 55287065
4-Methyl-2-prop-1-en-2-ylpyrrolidin-3-ol
CID 118580201
2-(1-Methoxy-2-methylbut-3-enyl)pyrrolidine
CID 123194034
(1R)-1-[(4S)-4-methyl-5-prop-2-enylpyrrolidin-2-yl]ethanol
CID 130455913
(2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine
CID 141373569
1-[(3S)-5,5-dimethylpyrrolidin-3-yl]pent-4-en-2-ol
CID 141377133
1-[(2S)-4-ethenylpyrrolidin-2-yl]propan-1-ol
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1-(4-Methyl-5-prop-2-enylpyrrolidin-2-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol?
The IUPAC name of 2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol (CID 123387367) is 2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol.
What is the SMILES notation for 2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol?
The canonical SMILES for 2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol is C=CC(C)C(O)C1CCCN1.
What is the InChIKey of 2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol?
The InChIKey is YZCYVAMBYDASLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-7(2)9(11)8-5-4-6-10-8/h3,7-11H,1,4-6H2,2H3.
What are the key properties of 2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol?
2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-2-ylbut-3-en-1-ol is sourced from PubChem (CID 123387367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).