7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide

C14H23NO3 — CID 123603173

IUPAC7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide
SMILESC=CC1C(O)CC(O)C1CC=CCCCC(N)=O
InChIInChI=1S/C14H23NO3/c1-2-10-11(13(17)9-12(10)16)7-5-3-4-6-8-14(15)18/h2-3,5,10-13,16-17H,1,4,6-9H2,(H2,15,18)
InChIKeyTVHBCZMHJOZTAZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.13
Rot. Bonds7

About 7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide

7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide (PubChem CID 123603173) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide.

Molecular Properties

Compound Name7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide
PubChem CID123603173
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide
SMILESC=CC1C(O)CC(O)C1CC=CCCCC(N)=O
InChIInChI=1S/C14H23NO3/c1-2-10-11(13(17)9-12(10)16)7-5-3-4-6-8-14(15)18/h2-3,5,10-13,16-17H,1,4,6-9H2,(H2,15,18)
InChIKeyTVHBCZMHJOZTAZ-UHFFFAOYSA-N
XLogP1.13
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide?
The IUPAC name of 7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide (CID 123603173) is 7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide.
What is the SMILES notation for 7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide?
The canonical SMILES for 7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide is C=CC1C(O)CC(O)C1CC=CCCCC(N)=O.
What is the InChIKey of 7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide?
The InChIKey is TVHBCZMHJOZTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-10-11(13(17)9-12(10)16)7-5-3-4-6-8-14(15)18/h2-3,5,10-13,16-17H,1,4,6-9H2,(H2,15,18).
What are the key properties of 7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide?
7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide has a molecular weight of 253.34 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide is sourced from PubChem (CID 123603173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).