1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene

C24H45NO — CID 142840999

IUPAC1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene
SMILESC/C=C\CC.C=C(C)C.CCN1C(=O)CCC1/C=C/CCCCC(C)C
InChIInChI=1S/C15H27NO.C5H10.C4H8/c1-4-16-14(11-12-15(16)17)10-8-6-5-7-9-13(2)3;1-3-5-4-2;1-4(2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3;3,5H,4H2,1-2H3;1H2,2-3H3/b10-8+;5-3-;
InChIKeyCBUPIYMOOHZLCG-CJZZLVIBSA-N
MW363.63 g/mol
LogP7.32
Rot. Bonds8

About 1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene

1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene (PubChem CID 142840999) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is 1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene.

Molecular Properties

Compound Name1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene
PubChem CID142840999
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene
SMILESC/C=C\CC.C=C(C)C.CCN1C(=O)CCC1/C=C/CCCCC(C)C
InChIInChI=1S/C15H27NO.C5H10.C4H8/c1-4-16-14(11-12-15(16)17)10-8-6-5-7-9-13(2)3;1-3-5-4-2;1-4(2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3;3,5H,4H2,1-2H3;1H2,2-3H3/b10-8+;5-3-;
InChIKeyCBUPIYMOOHZLCG-CJZZLVIBSA-N
XLogP7.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene with MolForge

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Related Compounds

23-Methyl-tetracos-5,9-dienoic acid, pyrrolidide
CID 91705239
2-Methyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 25118430
3-Butyl-3-azabicyclo[2.2.1]hept-5-en-2-one
CID 129905141
26-Methyl-5,9-heptacosadienoic acid pyrrolidide
CID 574881
25-Methyl-5,9-heptacosadienoic acid pyrrolidide
CID 574957
[(1S)-1,2-dimethylcyclohexa-2,5-dien-1-yl]-[(2R)-2-propylpyrrolidin-1-yl]methanone
CID 14223619
7,9-Dimethyl-6-hexadecenoic acid pyrrolidide
CID 73835834
10-Methyl-6,9-heptadecadienoic acid pyrrolidide
CID 73835835
2-(2-Methylidenebut-3-enyl)-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 102353971
15-Methyl-11-hexadecenoic acid pyrrolidide
CID 129724401
26-Methyl-5,9-octacosadienoic acid pyrrolidide
CID 129724703
N-(20-methyl-5,9-hexacosadienoyl) pyrrolidine
CID 129725684

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene?
The IUPAC name of 1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene (CID 142840999) is 1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene.
What is the SMILES notation for 1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene?
The canonical SMILES for 1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene is C/C=C\CC.C=C(C)C.CCN1C(=O)CCC1/C=C/CCCCC(C)C.
What is the InChIKey of 1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene?
The InChIKey is CBUPIYMOOHZLCG-CJZZLVIBSA-N. The full InChI is InChI=1S/C15H27NO.C5H10.C4H8/c1-4-16-14(11-12-15(16)17)10-8-6-5-7-9-13(2)3;1-3-5-4-2;1-4(2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3;3,5H,4H2,1-2H3;1H2,2-3H3/b10-8+;5-3-;.
What are the key properties of 1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene?
1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene has a molecular weight of 363.63 g/mol, XLogP of 7.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(E)-7-methyloct-1-enyl]pyrrolidin-2-one;2-methylprop-1-ene;(Z)-pent-2-ene is sourced from PubChem (CID 142840999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).