N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide

C16H22N2O — CID 83071732

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC2Cc3ccccc32)CCCN1
InChIInChI=1S/C16H22N2O/c1-2-16(8-5-9-18-16)15(19)17-11-13-10-12-6-3-4-7-14(12)13/h3-4,6-7,13,18H,2,5,8-11H2,1H3,(H,17,19)
InChIKeyGVTBWFMJYQTORG-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.97
Rot. Bonds4

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83071732) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83071732
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC2Cc3ccccc32)CCCN1
InChIInChI=1S/C16H22N2O/c1-2-16(8-5-9-18-16)15(19)17-11-13-10-12-6-3-4-7-14(12)13/h3-4,6-7,13,18H,2,5,8-11H2,1H3,(H,17,19)
InChIKeyGVTBWFMJYQTORG-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclobutane-1-carboxamide
CID 81179569
1-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97108739
2-ethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83072984
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide
CID 78995107
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxane-4-carboxamide
CID 115294070
1-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylcyclohexane-1-carboxamide
CID 115441643
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-oxobutanamide
CID 60815550
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(propan-2-ylamino)propanamide
CID 60852367
(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 83080337

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide (CID 83071732) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NCC2Cc3ccccc32)CCCN1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is GVTBWFMJYQTORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-16(8-5-9-18-16)15(19)17-11-13-10-12-6-3-4-7-14(12)13/h3-4,6-7,13,18H,2,5,8-11H2,1H3,(H,17,19).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83071732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).