1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde

C17H29NO2 — CID 142886415

IUPAC1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde
SMILESC=CCCCCCCC(=O)N1CC(CCC)CC1C=O
InChIInChI=1S/C17H29NO2/c1-3-5-6-7-8-9-11-17(20)18-13-15(10-4-2)12-16(18)14-19/h3,14-16H,1,4-13H2,2H3
InChIKeyNLOHZKRWGSGVDR-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.73
Rot. Bonds10

About 1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde

1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde (PubChem CID 142886415) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde
PubChem CID142886415
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde
SMILESC=CCCCCCCC(=O)N1CC(CCC)CC1C=O
InChIInChI=1S/C17H29NO2/c1-3-5-6-7-8-9-11-17(20)18-13-15(10-4-2)12-16(18)14-19/h3,14-16H,1,4-13H2,2H3
InChIKeyNLOHZKRWGSGVDR-UHFFFAOYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]oct-7-en-1-one
CID 14784829
formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate
CID 143081134
1-tetradecanoylpyrrolidine-2-carbaldehyde
CID 139473494
pentacos-1-en-11-one
CID 21420755
hexadec-15-en-5-one
CID 91482743
tricos-1-en-11-one
CID 146680996
pentadec-14-en-7-one
CID 11528685
1-[(2S,4R)-4-(hydroxymethyl)-2-(methoxymethyl)pyrrolidin-1-yl]heptan-1-one
CID 58468395
dec-1-ene;dec-9-enoic acid
CID 87497067
ethyl hept-6-enoate
CID 560341
heptanal;undec-10-enoic acid
CID 118865645
4-hydroxy-1-octadeca-9,12-dienoylpyrrolidine-2-carboxylic acid
CID 74374431

Frequently Asked Questions

What is the IUPAC name of 1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde?
The IUPAC name of 1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde (CID 142886415) is 1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde is C=CCCCCCCC(=O)N1CC(CCC)CC1C=O.
What is the InChIKey of 1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde?
The InChIKey is NLOHZKRWGSGVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-5-6-7-8-9-11-17(20)18-13-15(10-4-2)12-16(18)14-19/h3,14-16H,1,4-13H2,2H3.
What are the key properties of 1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde?
1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde has a molecular weight of 279.42 g/mol, XLogP of 3.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-non-8-enoyl-4-propylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 142886415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).