1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide

C15H27N3O — CID 142268393

IUPAC1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide
SMILESC=CNCC(=C)N1CCCC1C(=O)NC(C)CCC
InChIInChI=1S/C15H27N3O/c1-5-8-12(3)17-15(19)14-9-7-10-18(14)13(4)11-16-6-2/h6,12,14,16H,2,4-5,7-11H2,1,3H3,(H,17,19)
InChIKeyYMYLJUDUBHPDCU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.00
Rot. Bonds8

About 1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide

1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide (PubChem CID 142268393) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide
PubChem CID142268393
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide
SMILESC=CNCC(=C)N1CCCC1C(=O)NC(C)CCC
InChIInChI=1S/C15H27N3O/c1-5-8-12(3)17-15(19)14-9-7-10-18(14)13(4)11-16-6-2/h6,12,14,16H,2,4-5,7-11H2,1,3H3,(H,17,19)
InChIKeyYMYLJUDUBHPDCU-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide (CID 142268393) is 1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide is C=CNCC(=C)N1CCCC1C(=O)NC(C)CCC.
What is the InChIKey of 1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is YMYLJUDUBHPDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-8-12(3)17-15(19)14-9-7-10-18(14)13(4)11-16-6-2/h6,12,14,16H,2,4-5,7-11H2,1,3H3,(H,17,19).
What are the key properties of 1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide?
1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethenylamino)prop-1-en-2-yl]-N-pentan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 142268393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).