N-phenylpyrrolidine-1-carboxamide

C11H14N2O — CID 791811

IUPACN-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC1
InChIInChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14)
InChIKeyNTBKXPQLQPBJJL-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.31
Rot. Bonds1

About N-phenylpyrrolidine-1-carboxamide

N-phenylpyrrolidine-1-carboxamide (PubChem CID 791811) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-phenylpyrrolidine-1-carboxamide
PubChem CID791811
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC1
InChIInChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14)
InChIKeyNTBKXPQLQPBJJL-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-phenylpyrrolidine-1-carboxamide (CID 791811) is N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-phenylpyrrolidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC1.
What is the InChIKey of N-phenylpyrrolidine-1-carboxamide?
The InChIKey is NTBKXPQLQPBJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14).
What are the key properties of N-phenylpyrrolidine-1-carboxamide?
N-phenylpyrrolidine-1-carboxamide has a molecular weight of 190.25 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 791811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).