1-tetradecanoylpyrrolidine-2-carbaldehyde

C19H35NO2 — CID 139473494

IUPAC1-tetradecanoylpyrrolidine-2-carbaldehyde
SMILESCCCCCCCCCCCCCC(=O)N1CCCC1C=O
InChIInChI=1S/C19H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19(22)20-16-13-14-18(20)17-21/h17-18H,2-16H2,1H3
InChIKeyUBEKGERBACKKSL-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.88
Rot. Bonds13

About 1-tetradecanoylpyrrolidine-2-carbaldehyde

1-tetradecanoylpyrrolidine-2-carbaldehyde (PubChem CID 139473494) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is 1-tetradecanoylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-tetradecanoylpyrrolidine-2-carbaldehyde
PubChem CID139473494
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name1-tetradecanoylpyrrolidine-2-carbaldehyde
SMILESCCCCCCCCCCCCCC(=O)N1CCCC1C=O
InChIInChI=1S/C19H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19(22)20-16-13-14-18(20)17-21/h17-18H,2-16H2,1H3
InChIKeyUBEKGERBACKKSL-UHFFFAOYSA-N
XLogP4.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.88
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'}

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Related Compounds

1-butanoylpyrrolidine-2-carbaldehyde
CID 19783440
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate
CID 177344572
1-[2-(2-oxopropyl)pyrrolidin-1-yl]hexan-1-one
CID 79540345
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
butyl 2-formylpyrrolidine-1-carboxylate
CID 54059986
ethane;1-[2-(ethoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 156738237
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
CID 79547123
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]octan-1-one
CID 79539770
1-[2-(2-bromopropyl)pyrrolidin-1-yl]octan-1-one
CID 112748469

Frequently Asked Questions

What is the IUPAC name of 1-tetradecanoylpyrrolidine-2-carbaldehyde?
The IUPAC name of 1-tetradecanoylpyrrolidine-2-carbaldehyde (CID 139473494) is 1-tetradecanoylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-tetradecanoylpyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-tetradecanoylpyrrolidine-2-carbaldehyde is CCCCCCCCCCCCCC(=O)N1CCCC1C=O.
What is the InChIKey of 1-tetradecanoylpyrrolidine-2-carbaldehyde?
The InChIKey is UBEKGERBACKKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19(22)20-16-13-14-18(20)17-21/h17-18H,2-16H2,1H3.
What are the key properties of 1-tetradecanoylpyrrolidine-2-carbaldehyde?
1-tetradecanoylpyrrolidine-2-carbaldehyde has a molecular weight of 309.49 g/mol, XLogP of 4.88, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecanoylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 139473494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).