2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol

C10H19NO — CID 115647987

IUPAC2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol
SMILESC=C(C)CN1CCC(CCO)C1
InChIInChI=1S/C10H19NO/c1-9(2)7-11-5-3-10(8-11)4-6-12/h10,12H,1,3-8H2,2H3
InChIKeySECIJGRPEKPPTE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds4

About 2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol

2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol (PubChem CID 115647987) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol
PubChem CID115647987
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol
SMILESC=C(C)CN1CCC(CCO)C1
InChIInChI=1S/C10H19NO/c1-9(2)7-11-5-3-10(8-11)4-6-12/h10,12H,1,3-8H2,2H3
InChIKeySECIJGRPEKPPTE-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
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 2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol (CID 115647987) is 2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol is C=C(C)CN1CCC(CCO)C1.
What is the InChIKey of 2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol?
The InChIKey is SECIJGRPEKPPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)7-11-5-3-10(8-11)4-6-12/h10,12H,1,3-8H2,2H3.
What are the key properties of 2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol?
2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-2-enyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115647987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).