N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide

C17H24N2O — CID 773391

IUPACN-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC2)c1
InChIInChI=1S/C17H24N2O/c1-13(2)14-8-7-9-15(12-14)17(3,4)18-16(20)19-10-5-6-11-19/h7-9,12H,1,5-6,10-11H2,2-4H3,(H,18,20)
InChIKeyPGYOJSVHHIFEBK-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.76
Rot. Bonds3

About N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide

N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 773391) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
PubChem CID773391
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC2)c1
InChIInChI=1S/C17H24N2O/c1-13(2)14-8-7-9-15(12-14)17(3,4)18-16(20)19-10-5-6-11-19/h7-9,12H,1,5-6,10-11H2,2-4H3,(H,18,20)
InChIKeyPGYOJSVHHIFEBK-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide (CID 773391) is N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC2)c1.
What is the InChIKey of N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is PGYOJSVHHIFEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)14-8-7-9-15(12-14)17(3,4)18-16(20)19-10-5-6-11-19/h7-9,12H,1,5-6,10-11H2,2-4H3,(H,18,20).
What are the key properties of N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide?
N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 773391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).