3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol

C9H17NO — CID 117268620

IUPAC3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol
SMILESC=C(CCO)CC1CCCN1
InChIInChI=1S/C9H17NO/c1-8(4-6-11)7-9-3-2-5-10-9/h9-11H,1-7H2
InChIKeyDYHPCJCKKYZCEF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds4

About 3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol

3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol (PubChem CID 117268620) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol.

Molecular Properties

Compound Name3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol
PubChem CID117268620
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol
SMILESC=C(CCO)CC1CCCN1
InChIInChI=1S/C9H17NO/c1-8(4-6-11)7-9-3-2-5-10-9/h9-11H,1-7H2
InChIKeyDYHPCJCKKYZCEF-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
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

3-[(2s)-Pyrrolidin-2-yl)-3-buten-1-ol
CID 11423649
4-(3-Methylidenepyrrolidin-2-yl)butan-2-ol
CID 91535218
3-Pyrrolidin-2-ylbut-3-en-1-ol
CID 72956246
2-(Pyrrolidin-2-ylmethyl)prop-2-en-1-ol
CID 117266684
3-[(1-Methylpyrrolidin-2-yl)methyl]but-3-en-1-ol
CID 117268621
3-[(1-Ethylpyrrolidin-2-yl)methyl]but-3-en-1-ol
CID 117268622
3-[(1-Propan-2-ylpyrrolidin-2-yl)methyl]but-3-en-1-ol
CID 117268623
3-(Piperidin-2-ylmethyl)but-3-en-1-ol
CID 117268676
3-Methyl-1-[(2s)-pyrrolidin-2-yl]but-3-en-1-ol
CID 164654181
4-Piperidin-2-ylpent-4-en-1-ol
CID 177610209

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol?
The IUPAC name of 3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol (CID 117268620) is 3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol.
What is the SMILES notation for 3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol?
The canonical SMILES for 3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol is C=C(CCO)CC1CCCN1.
What is the InChIKey of 3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol?
The InChIKey is DYHPCJCKKYZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(4-6-11)7-9-3-2-5-10-9/h9-11H,1-7H2.
What are the key properties of 3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol?
3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-2-ylmethyl)but-3-en-1-ol is sourced from PubChem (CID 117268620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).