6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate

C16H27NO3 — CID 145314555

IUPAC6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate
SMILESCCC/C=C\C(=O)OCCCCCCN1CCCC1=O
InChIInChI=1S/C16H27NO3/c1-2-3-6-11-16(19)20-14-8-5-4-7-12-17-13-9-10-15(17)18/h6,11H,2-5,7-10,12-14H2,1H3/b11-6-
InChIKeyGIKVJXLVRIANGS-WDZFZDKYSA-N
MW281.40 g/mol
LogP3.07
Rot. Bonds10

About 6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate

6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate (PubChem CID 145314555) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate.

Molecular Properties

Compound Name6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate
PubChem CID145314555
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate
SMILESCCC/C=C\C(=O)OCCCCCCN1CCCC1=O
InChIInChI=1S/C16H27NO3/c1-2-3-6-11-16(19)20-14-8-5-4-7-12-17-13-9-10-15(17)18/h6,11H,2-5,7-10,12-14H2,1H3/b11-6-
InChIKeyGIKVJXLVRIANGS-WDZFZDKYSA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-7-(2-ethoxy-5-oxopyrrolidin-1-yl)hept-2-enoate
CID 68652455
methyl (E)-6-(2-ethoxy-5-oxopyrrolidin-1-yl)hex-2-enoate
CID 68652665
ethyl (E)-5-methyl-6-oxo-6-pyrrolidin-1-ylhex-2-enoate
CID 146168827
1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one
CID 162402967
Methyl 7-(2-ethoxy-5-oxopyrrolidin-1-yl)hept-2-enoate
CID 68652459
Methyl 6-(2-ethoxy-5-oxopyrrolidin-1-yl)hex-2-enoate
CID 68652666
1-O-methyl 4-O-[6-(2-oxopyrrolidin-1-yl)hexyl] (Z)-but-2-enedioate
CID 130245183
17-(2-Oxopyrrolidin-1-yl)heptadecyl but-2-enoate
CID 141035242
8-(1-Methyl-2,5-dioxopyrrolidin-3-ylidene)octyl prop-2-enoate
CID 141319483
6-(1-Methyl-2,5-dioxopyrrolidin-3-ylidene)hexyl prop-2-enoate
CID 141320711
bis[6-(2-oxopyrrolidin-1-yl)hexyl] (Z)-pent-2-enedioate
CID 142474404
1-O-[6-(2-oxoazepan-1-yl)hexyl] 6-O-[6-(2-oxopyrrolidin-1-yl)hexyl] (Z)-hex-2-enedioate
CID 145314546

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate?
The IUPAC name of 6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate (CID 145314555) is 6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate.
What is the SMILES notation for 6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate?
The canonical SMILES for 6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate is CCC/C=C\C(=O)OCCCCCCN1CCCC1=O.
What is the InChIKey of 6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate?
The InChIKey is GIKVJXLVRIANGS-WDZFZDKYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-3-6-11-16(19)20-14-8-5-4-7-12-17-13-9-10-15(17)18/h6,11H,2-5,7-10,12-14H2,1H3/b11-6-.
What are the key properties of 6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate?
6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate has a molecular weight of 281.40 g/mol, XLogP of 3.07, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate is sourced from PubChem (CID 145314555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).