2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one

C13H24N2O — CID 142070802

IUPAC2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
SMILESC=C(N)CC(CCCC)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O/c1-3-4-7-12(10-11(2)14)13(16)15-8-5-6-9-15/h12H,2-10,14H2,1H3
InChIKeyRBXXRACILMNIQM-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.28
Rot. Bonds6

About 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one

2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 142070802) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
PubChem CID142070802
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
SMILESC=C(N)CC(CCCC)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O/c1-3-4-7-12(10-11(2)14)13(16)15-8-5-6-9-15/h12H,2-10,14H2,1H3
InChIKeyRBXXRACILMNIQM-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one (CID 142070802) is 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one is C=C(N)CC(CCCC)C(=O)N1CCCC1.
What is the InChIKey of 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is RBXXRACILMNIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-4-7-12(10-11(2)14)13(16)15-8-5-6-9-15/h12H,2-10,14H2,1H3.
What are the key properties of 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one?
2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 224.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 142070802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).