nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate

C23H35NO3 — CID 91695582

IUPACnonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCCN1C(=O)CCc1ccccc1
InChIInChI=1S/C23H35NO3/c1-2-3-4-5-6-7-11-19-27-23(26)21-15-12-18-24(21)22(25)17-16-20-13-9-8-10-14-20/h8-10,13-14,21H,2-7,11-12,15-19H2,1H3
InChIKeyZGXRYWKAWPTZGH-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.90
Rot. Bonds12

About nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate

nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 91695582) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namenonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID91695582
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Namenonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCCN1C(=O)CCc1ccccc1
InChIInChI=1S/C23H35NO3/c1-2-3-4-5-6-7-11-19-27-23(26)21-15-12-18-24(21)22(25)17-16-20-13-9-8-10-14-20/h8-10,13-14,21H,2-7,11-12,15-19H2,1H3
InChIKeyZGXRYWKAWPTZGH-UHFFFAOYSA-N
XLogP4.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentyl 1-(2-phenylacetyl)pyrrolidine-2-carboxylate
CID 91695537
heptyl 1-(2-phenylacetyl)pyrrolidine-2-carboxylate
CID 91695529
undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 91724066
benzyl (2S)-1-[(2S)-1-(3-phenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 54563213
heptyl 1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 91716545
hexyl 1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate
CID 91722290
undecyl 1-acetylpyrrolidine-2-carboxylate
CID 85101195
hexyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 66695142
tetradecyl 1-(2-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 91715353
benzyl (2S)-1-[6-oxo-6-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]hexanoyl]pyrrolidine-2-carboxylate
CID 54052130
1-O-butyl 2-O-dodecyl pyrrolidine-1,2-dicarboxylate
CID 6424636
1-O-(2-methoxyethyl) 2-O-octadecyl pyrrolidine-1,2-dicarboxylate
CID 91725946

Frequently Asked Questions

What is the IUPAC name of nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate (CID 91695582) is nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate is CCCCCCCCCOC(=O)C1CCCN1C(=O)CCc1ccccc1.
What is the InChIKey of nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is ZGXRYWKAWPTZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO3/c1-2-3-4-5-6-7-11-19-27-23(26)21-15-12-18-24(21)22(25)17-16-20-13-9-8-10-14-20/h8-10,13-14,21H,2-7,11-12,15-19H2,1H3.
What are the key properties of nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate?
nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 373.54 g/mol, XLogP of 4.90, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91695582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).