N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide

C14H17N3O2 — CID 70691276

IUPACN-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide
SMILESC=CC(=O)Nc1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-13(18)15-11-5-7-12(8-6-11)16-14(19)17-9-3-4-10-17/h2,5-8H,1,3-4,9-10H2,(H,15,18)(H,16,19)
InChIKeyLLXOHJXKFKFONA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.44
Rot. Bonds3

About N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide

N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide (PubChem CID 70691276) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide
PubChem CID70691276
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide
SMILESC=CC(=O)Nc1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-13(18)15-11-5-7-12(8-6-11)16-14(19)17-9-3-4-10-17/h2,5-8H,1,3-4,9-10H2,(H,15,18)(H,16,19)
InChIKeyLLXOHJXKFKFONA-UHFFFAOYSA-N
XLogP2.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide (CID 70691276) is N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide is C=CC(=O)Nc1ccc(NC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is LLXOHJXKFKFONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-13(18)15-11-5-7-12(8-6-11)16-14(19)17-9-3-4-10-17/h2,5-8H,1,3-4,9-10H2,(H,15,18)(H,16,19).
What are the key properties of N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide?
N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-2-enoylamino)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 70691276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).