N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine

C11H20N2 — CID 70645883

IUPACN-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine
SMILESC=C(CC)NCC(=C)N1CCCC1
InChIInChI=1S/C11H20N2/c1-4-10(2)12-9-11(3)13-7-5-6-8-13/h12H,2-9H2,1H3
InChIKeyVTNGJVPDBSUXII-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.11
Rot. Bonds5

About N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine

N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine (PubChem CID 70645883) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine
PubChem CID70645883
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine
SMILESC=C(CC)NCC(=C)N1CCCC1
InChIInChI=1S/C11H20N2/c1-4-10(2)12-9-11(3)13-7-5-6-8-13/h12H,2-9H2,1H3
InChIKeyVTNGJVPDBSUXII-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine (CID 70645883) is N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine is C=C(CC)NCC(=C)N1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine?
The InChIKey is VTNGJVPDBSUXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-10(2)12-9-11(3)13-7-5-6-8-13/h12H,2-9H2,1H3.
What are the key properties of N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine?
N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine is sourced from PubChem (CID 70645883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).