N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide

C15H23NO — CID 89206449

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC1C1CC2CCC1C2
InChIInChI=1S/C15H23NO/c1-2-15(17)16-14-5-3-4-12(14)13-9-10-6-7-11(13)8-10/h2,10-14H,1,3-9H2,(H,16,17)
InChIKeyGFIJZKISWMHMBW-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.89
Rot. Bonds3

About N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide

N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide (PubChem CID 89206449) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide
PubChem CID89206449
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC1C1CC2CCC1C2
InChIInChI=1S/C15H23NO/c1-2-15(17)16-14-5-3-4-12(14)13-9-10-6-7-11(13)8-10/h2,10-14H,1,3-9H2,(H,16,17)
InChIKeyGFIJZKISWMHMBW-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Propenamide, N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-
CID 3824523
N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]prop-2-enamide
CID 950914
N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]prop-2-enamide
CID 950915
N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
CID 20727712
N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide
CID 20727713
N-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]prop-2-enamide
CID 21133730
N-{tricyclo[5.2.1.0,2,6]decan-8-yl}prop-2-enamide
CID 43700056
N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
CID 59029598
N-(2-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide
CID 63682600
N-[[2-[(prop-2-enoylamino)methyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
CID 69793208
N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide
CID 89206419
N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
CID 89206513

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide (CID 89206449) is N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide is C=CC(=O)NC1CCCC1C1CC2CCC1C2.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide?
The InChIKey is GFIJZKISWMHMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-15(17)16-14-5-3-4-12(14)13-9-10-6-7-11(13)8-10/h2,10-14H,1,3-9H2,(H,16,17).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide?
N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide has a molecular weight of 233.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 89206449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).