1-methyl-5-prop-1-enylpyrrolidin-3-ol

C8H15NO — CID 59936382

IUPAC1-methyl-5-prop-1-enylpyrrolidin-3-ol
SMILESCC=CC1CC(O)CN1C
InChIInChI=1S/C8H15NO/c1-3-4-7-5-8(10)6-9(7)2/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyVCGFLZGLEAJKSA-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds1

About 1-methyl-5-prop-1-enylpyrrolidin-3-ol

1-methyl-5-prop-1-enylpyrrolidin-3-ol (PubChem CID 59936382) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-methyl-5-prop-1-enylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-5-prop-1-enylpyrrolidin-3-ol
PubChem CID59936382
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-methyl-5-prop-1-enylpyrrolidin-3-ol
SMILESCC=CC1CC(O)CN1C
InChIInChI=1S/C8H15NO/c1-3-4-7-5-8(10)6-9(7)2/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyVCGFLZGLEAJKSA-UHFFFAOYSA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 1-methyl-5-prop-1-enylpyrrolidin-3-ol?
The IUPAC name of 1-methyl-5-prop-1-enylpyrrolidin-3-ol (CID 59936382) is 1-methyl-5-prop-1-enylpyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-5-prop-1-enylpyrrolidin-3-ol?
The canonical SMILES for 1-methyl-5-prop-1-enylpyrrolidin-3-ol is CC=CC1CC(O)CN1C.
What is the InChIKey of 1-methyl-5-prop-1-enylpyrrolidin-3-ol?
The InChIKey is VCGFLZGLEAJKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-7-5-8(10)6-9(7)2/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 1-methyl-5-prop-1-enylpyrrolidin-3-ol?
1-methyl-5-prop-1-enylpyrrolidin-3-ol has a molecular weight of 141.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-prop-1-enylpyrrolidin-3-ol is sourced from PubChem (CID 59936382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).