4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one

C16H23NO3 — CID 177320441

IUPAC4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one
SMILESCOC1CC=C(C2CNC(=O)C2)C=C1OC1CCCC1
InChIInChI=1S/C16H23NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6,8,12-14H,2-5,7,9-10H2,1H3,(H,17,18)
InChIKeyZFLIDZLDBHIMPJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.31
Rot. Bonds4

About 4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one

4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one (PubChem CID 177320441) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one
PubChem CID177320441
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one
SMILESCOC1CC=C(C2CNC(=O)C2)C=C1OC1CCCC1
InChIInChI=1S/C16H23NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6,8,12-14H,2-5,7,9-10H2,1H3,(H,17,18)
InChIKeyZFLIDZLDBHIMPJ-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1E,3E)-5-cyclopentyloxy-4-methoxyhexa-1,3-dienyl]pyrrolidin-2-one
CID 22965853
N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide
CID 69277161
N-[2-[(3aS)-2,3a,4,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 71245372
4-(5-Cyclopentyloxy-4-methoxyhexa-1,3-dienyl)pyrrolidin-2-one
CID 74009487
4-(5-Cyclopentyloxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one
CID 89670269
N-[2-[2-(2-ethylideneoxolan-3-ylidene)-3-methylidenecyclopentyl]ethyl]propanamide
CID 123797094
(4R)-4-[(1E,3Z,5E)-6-cyclopentyloxy-1-methoxyhepta-1,3,5-trien-4-yl]pyrrolidin-2-one
CID 142147648
4-(5-Cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one
CID 149087074
N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide
CID 163459212

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one?
The IUPAC name of 4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one (CID 177320441) is 4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one is COC1CC=C(C2CNC(=O)C2)C=C1OC1CCCC1.
What is the InChIKey of 4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one?
The InChIKey is ZFLIDZLDBHIMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6,8,12-14H,2-5,7,9-10H2,1H3,(H,17,18).
What are the key properties of 4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one?
4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one has a molecular weight of 277.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 177320441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).