N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide

C16H19N3O — CID 47256655

IUPACN-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C16H19N3O/c20-16(18-12-13-6-2-1-3-7-13)19-11-5-9-15(19)14-8-4-10-17-14/h1-4,6-8,10,15,17H,5,9,11-12H2,(H,18,20)
InChIKeyVQADDMQYKWBVPX-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.06
Rot. Bonds3

About N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide

N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 47256655) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
PubChem CID47256655
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C16H19N3O/c20-16(18-12-13-6-2-1-3-7-13)19-11-5-9-15(19)14-8-4-10-17-14/h1-4,6-8,10,15,17H,5,9,11-12H2,(H,18,20)
InChIKeyVQADDMQYKWBVPX-UHFFFAOYSA-N
XLogP3.06
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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3-phenyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
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N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
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(2S)-N-benzyl-2-(2-chlorophenyl)azepane-1-carboxamide
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2-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]sulfanylacetic acid
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(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
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(2R)-N-benzyl-2-thiophen-2-ylazepane-1-carboxamide
CID 92503180
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide (CID 47256655) is N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide is O=C(NCc1ccccc1)N1CCCC1c1ccc[nH]1.
What is the InChIKey of N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is VQADDMQYKWBVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(18-12-13-6-2-1-3-7-13)19-11-5-9-15(19)14-8-4-10-17-14/h1-4,6-8,10,15,17H,5,9,11-12H2,(H,18,20).
What are the key properties of N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47256655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).