3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol

C9H17NO — CID 117268509

IUPAC3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol
SMILESC=C(CCO)C1CCCN1C
InChIInChI=1S/C9H17NO/c1-8(5-7-11)9-4-3-6-10(9)2/h9,11H,1,3-7H2,2H3
InChIKeyPFOKPONFQPLZSX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds3

About 3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol

3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol (PubChem CID 117268509) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol
PubChem CID117268509
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol
SMILESC=C(CCO)C1CCCN1C
InChIInChI=1S/C9H17NO/c1-8(5-7-11)9-4-3-6-10(9)2/h9,11H,1,3-7H2,2H3
InChIKeyPFOKPONFQPLZSX-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
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-[(2s)-Pyrrolidin-2-yl)-3-buten-1-ol
CID 11423649
1-(2-Prop-1-en-2-ylpyrrolidin-1-yl)ethanol
CID 134212531
2-methyl-1-[(2S)-2-(2-methylprop-2-enyl)pyrrolidin-1-yl]propan-1-ol
CID 134447381
3-(1-But-3-en-2-ylpyrrolidin-2-yl)propan-1-ol
CID 62468680
3-[1-(3-Methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 62469058
3-[1-(2-Methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 62469223
3-(1-Pent-4-enylpyrrolidin-2-yl)propan-1-ol
CID 64298553
3-(1-But-3-enylpyrrolidin-2-yl)propan-1-ol
CID 64298554
3-[1-(2-Methylidenebutyl)pyrrolidin-2-yl]propan-1-ol
CID 66039019
3-Pyrrolidin-2-ylbut-3-en-1-ol
CID 72956246
3-[1-(3-Methylhex-5-en-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 104172804
3-[1-(3-Chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 106439857

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol (CID 117268509) is 3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol is C=C(CCO)C1CCCN1C.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol?
The InChIKey is PFOKPONFQPLZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(5-7-11)9-4-3-6-10(9)2/h9,11H,1,3-7H2,2H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol?
3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)but-3-en-1-ol is sourced from PubChem (CID 117268509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).