N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

C13H22N2O — CID 104826199

IUPACN-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1CNCC1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C13H22N2O/c1-8-6-14-7-12(8)15-13(16)11-5-9-2-3-10(11)4-9/h8-12,14H,2-7H2,1H3,(H,15,16)
InChIKeyXVHNWZABDHYBGZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.15
Rot. Bonds2

About N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 104826199) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID104826199
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1CNCC1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C13H22N2O/c1-8-6-14-7-12(8)15-13(16)11-5-9-2-3-10(11)4-9/h8-12,14H,2-7H2,1H3,(H,15,16)
InChIKeyXVHNWZABDHYBGZ-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
2-methyl-N-(4-methylpyrrolidin-3-yl)oxolane-3-carboxamide
CID 104826208
(1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 70897761
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
(3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 114084659
4-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidine-3-carboxamide
CID 113269303
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide
CID 82726517
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 43603815

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 104826199) is N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is CC1CNCC1NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XVHNWZABDHYBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8-6-14-7-12(8)15-13(16)11-5-9-2-3-10(11)4-9/h8-12,14H,2-7H2,1H3,(H,15,16).
What are the key properties of N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 104826199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).