N-benzyl-3-pyrrol-1-ylpropanamide

C14H16N2O — CID 3245406

IUPACN-benzyl-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)NCc1ccccc1
InChIInChI=1S/C14H16N2O/c17-14(8-11-16-9-4-5-10-16)15-12-13-6-2-1-3-7-13/h1-7,9-10H,8,11-12H2,(H,15,17)
InChIKeyYXIVJCJGNUOQBD-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.19
Rot. Bonds5

About N-benzyl-3-pyrrol-1-ylpropanamide

N-benzyl-3-pyrrol-1-ylpropanamide (PubChem CID 3245406) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-benzyl-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-pyrrol-1-ylpropanamide
PubChem CID3245406
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-benzyl-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)NCc1ccccc1
InChIInChI=1S/C14H16N2O/c17-14(8-11-16-9-4-5-10-16)15-12-13-6-2-1-3-7-13/h1-7,9-10H,8,11-12H2,(H,15,17)
InChIKeyYXIVJCJGNUOQBD-UHFFFAOYSA-N
XLogP2.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-benzyl-3-pyrrol-1-ylpropanamide (CID 3245406) is N-benzyl-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-benzyl-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-benzyl-3-pyrrol-1-ylpropanamide is O=C(CCn1cccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-pyrrol-1-ylpropanamide?
The InChIKey is YXIVJCJGNUOQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(8-11-16-9-4-5-10-16)15-12-13-6-2-1-3-7-13/h1-7,9-10H,8,11-12H2,(H,15,17).
What are the key properties of N-benzyl-3-pyrrol-1-ylpropanamide?
N-benzyl-3-pyrrol-1-ylpropanamide has a molecular weight of 228.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 3245406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).