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

C8H15NO — CID 70146895

IUPAC3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol
SMILESCN1CCCC1C=CCO
InChIInChI=1S/C8H15NO/c1-9-6-2-4-8(9)5-3-7-10/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyBSLOWZKXDPPADY-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds2

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

3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol (PubChem CID 70146895) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol
PubChem CID70146895
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol
SMILESCN1CCCC1C=CCO
InChIInChI=1S/C8H15NO/c1-9-6-2-4-8(9)5-3-7-10/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyBSLOWZKXDPPADY-UHFFFAOYSA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol (CID 70146895) is 3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol is CN1CCCC1C=CCO.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol?
The InChIKey is BSLOWZKXDPPADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-6-2-4-8(9)5-3-7-10/h3,5,8,10H,2,4,6-7H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol?
3-(1-methylpyrrolidin-2-yl)prop-2-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.63, 2 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)prop-2-en-1-ol is sourced from PubChem (CID 70146895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).