3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine

C8H16N2O — CID 142009753

IUPAC3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine
SMILESC=C(N)COC1CCN(C)C1
InChIInChI=1S/C8H16N2O/c1-7(9)6-11-8-3-4-10(2)5-8/h8H,1,3-6,9H2,2H3
InChIKeyRVDQPKUBYNQNPK-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.18
Rot. Bonds3

About 3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine

3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine (PubChem CID 142009753) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine
PubChem CID142009753
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine
SMILESC=C(N)COC1CCN(C)C1
InChIInChI=1S/C8H16N2O/c1-7(9)6-11-8-3-4-10(2)5-8/h8H,1,3-6,9H2,2H3
InChIKeyRVDQPKUBYNQNPK-UHFFFAOYSA-N
XLogP0.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Pyrrolidin-1-ylprop-2-enoxy)piperidine
CID 70256997
(2R)-2-[(Z)-2-aminobut-2-enoxy]-N-ethyl-N-methylbutan-1-amine
CID 175624096

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine (CID 142009753) is 3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine is C=C(N)COC1CCN(C)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine?
The InChIKey is RVDQPKUBYNQNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(9)6-11-8-3-4-10(2)5-8/h8H,1,3-6,9H2,2H3.
What are the key properties of 3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine?
3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine has a molecular weight of 156.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)oxyprop-1-en-2-amine is sourced from PubChem (CID 142009753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).