2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine

C11H20N2O — CID 155158107

IUPAC2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine
SMILESC=CC1CC(OC)CN1C(=C)CNC
InChIInChI=1S/C11H20N2O/c1-5-10-6-11(14-4)8-13(10)9(2)7-12-3/h5,10-12H,1-2,6-8H2,3-4H3
InChIKeyVWHWDNONNCNCIQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.99
Rot. Bonds5

About 2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine

2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine (PubChem CID 155158107) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine
PubChem CID155158107
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine
SMILESC=CC1CC(OC)CN1C(=C)CNC
InChIInChI=1S/C11H20N2O/c1-5-10-6-11(14-4)8-13(10)9(2)7-12-3/h5,10-12H,1-2,6-8H2,3-4H3
InChIKeyVWHWDNONNCNCIQ-UHFFFAOYSA-N
XLogP0.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine (CID 155158107) is 2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine is C=CC1CC(OC)CN1C(=C)CNC.
What is the InChIKey of 2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine?
The InChIKey is VWHWDNONNCNCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-10-6-11(14-4)8-13(10)9(2)7-12-3/h5,10-12H,1-2,6-8H2,3-4H3.
What are the key properties of 2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine?
2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine has a molecular weight of 196.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-4-methoxypyrrolidin-1-yl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 155158107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).