N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C13H16N2O — CID 66397068

IUPACN-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(NC1CCNC1)C1Cc2ccccc21
InChIInChI=1S/C13H16N2O/c16-13(15-10-5-6-14-8-10)12-7-9-3-1-2-4-11(9)12/h1-4,10,12,14H,5-8H2,(H,15,16)
InChIKeySHSBQARMKRWEKN-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.80
Rot. Bonds2

About N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66397068) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66397068
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(NC1CCNC1)C1Cc2ccccc21
InChIInChI=1S/C13H16N2O/c16-13(15-10-5-6-14-8-10)12-7-9-3-1-2-4-11(9)12/h1-4,10,12,14H,5-8H2,(H,15,16)
InChIKeySHSBQARMKRWEKN-UHFFFAOYSA-N
XLogP0.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394400
2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119453472
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 66397056
N-piperidin-3-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 112531038
N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396103
N-(azepan-3-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211900
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
N-piperidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126396
N-(2,3-dihydro-1H-inden-2-yl)piperidine-4-carboxamide
CID 68885469
N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 104645593
N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 114546203
2-(2-methylphenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453095

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66397068) is N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is O=C(NC1CCNC1)C1Cc2ccccc21.
What is the InChIKey of N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is SHSBQARMKRWEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(15-10-5-6-14-8-10)12-7-9-3-1-2-4-11(9)12/h1-4,10,12,14H,5-8H2,(H,15,16).
What are the key properties of N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66397068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).