3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol

C10H19NO — CID 117268621

IUPAC3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol
SMILESC=C(CCO)CC1CCCN1C
InChIInChI=1S/C10H19NO/c1-9(5-7-12)8-10-4-3-6-11(10)2/h10,12H,1,3-8H2,2H3
InChIKeyZXDVGCUYSNFSOJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds4

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

3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol (PubChem CID 117268621) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol
PubChem CID117268621
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol
SMILESC=C(CCO)CC1CCCN1C
InChIInChI=1S/C10H19NO/c1-9(5-7-12)8-10-4-3-6-11(10)2/h10,12H,1,3-8H2,2H3
InChIKeyZXDVGCUYSNFSOJ-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
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-[1-(2-Methylidenebutyl)pyrrolidin-2-yl]propan-1-ol
CID 66039019
3-[1-(3-Methylbut-3-enyl)pyrrolidin-2-yl]propan-1-ol
CID 114448933
2-[(1-Methylpyrrolidin-2-yl)methyl]prop-2-en-1-ol
CID 117266685
2-[(1-Ethylpyrrolidin-2-yl)methyl]prop-2-en-1-ol
CID 117266686
2-[(1-Propan-2-ylpyrrolidin-2-yl)methyl]prop-2-en-1-ol
CID 117266687
3-(1-Propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol
CID 117268233
3-[(1-Propan-2-ylpyrrolidin-3-yl)methyl]but-3-en-1-ol
CID 117268344
3-(1-Methylpyrrolidin-2-yl)but-3-en-1-ol
CID 117268509
3-(1-Ethylpyrrolidin-2-yl)but-3-en-1-ol
CID 117268510
3-(1-Propan-2-ylpyrrolidin-2-yl)but-3-en-1-ol
CID 117268511
3-(Pyrrolidin-2-ylmethyl)but-3-en-1-ol
CID 117268620
3-[(1-Ethylpyrrolidin-2-yl)methyl]but-3-en-1-ol
CID 117268622

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol (CID 117268621) is 3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol is C=C(CCO)CC1CCCN1C.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol?
The InChIKey is ZXDVGCUYSNFSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(5-7-12)8-10-4-3-6-11(10)2/h10,12H,1,3-8H2,2H3.
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol?
3-[(1-methylpyrrolidin-2-yl)methyl]but-3-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 4 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)methyl]but-3-en-1-ol is sourced from PubChem (CID 117268621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).