N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide

C15H20N2O — CID 18156285

IUPACN-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C1CC1
InChIInChI=1S/C15H20N2O/c18-15(13-6-7-13)16-14-8-9-17(11-14)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,16,18)
InChIKeyGLKDAWQTEFAUTM-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.79
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide

N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide (PubChem CID 18156285) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide
PubChem CID18156285
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C1CC1
InChIInChI=1S/C15H20N2O/c18-15(13-6-7-13)16-14-8-9-17(11-14)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,16,18)
InChIKeyGLKDAWQTEFAUTM-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-phenylpropyl)propionamide
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N-Benzyl-3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-propionamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide (CID 18156285) is N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide is O=C(NC1CCN(Cc2ccccc2)C1)C1CC1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide?
The InChIKey is GLKDAWQTEFAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(13-6-7-13)16-14-8-9-17(11-14)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,16,18).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide?
N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide has a molecular weight of 244.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 18156285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).