N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide

C13H20N2O2 — CID 78991272

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCC2CC3CCC2C3)CN1
InChIInChI=1S/C13H20N2O2/c16-12-5-11(7-14-12)13(17)15-6-10-4-8-1-2-9(10)3-8/h8-11H,1-7H2,(H,14,16)(H,15,17)
InChIKeyQQWUUWVYEMIIMI-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.67
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78991272) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78991272
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCC2CC3CCC2C3)CN1
InChIInChI=1S/C13H20N2O2/c16-12-5-11(7-14-12)13(17)15-6-10-4-8-1-2-9(10)3-8/h8-11H,1-7H2,(H,14,16)(H,15,17)
InChIKeyQQWUUWVYEMIIMI-UHFFFAOYSA-N
XLogP0.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(1S,2R)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 164638984
2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 83193571
N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83193505
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentane-1-carboxamide
CID 66010683
5-oxo-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 128994117
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 55234438
N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide
CID 115636687
N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
CID 81459469
N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 115613116
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]butyl]urea
CID 124546515

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 78991272) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NCC2CC3CCC2C3)CN1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QQWUUWVYEMIIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12-5-11(7-14-12)13(17)15-6-10-4-8-1-2-9(10)3-8/h8-11H,1-7H2,(H,14,16)(H,15,17).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78991272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).