nonan-3-yl pyrrolidin-2-yl carbonate

C14H27NO3 — CID 54338103

IUPACnonan-3-yl pyrrolidin-2-yl carbonate
SMILESCCCCCCC(CC)OC(=O)OC1CCCN1
InChIInChI=1S/C14H27NO3/c1-3-5-6-7-9-12(4-2)17-14(16)18-13-10-8-11-15-13/h12-13,15H,3-11H2,1-2H3
InChIKeyUEVPXFCGZGGDQX-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.60
Rot. Bonds8

About nonan-3-yl pyrrolidin-2-yl carbonate

nonan-3-yl pyrrolidin-2-yl carbonate (PubChem CID 54338103) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is nonan-3-yl pyrrolidin-2-yl carbonate.

Molecular Properties

Compound Namenonan-3-yl pyrrolidin-2-yl carbonate
PubChem CID54338103
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namenonan-3-yl pyrrolidin-2-yl carbonate
SMILESCCCCCCC(CC)OC(=O)OC1CCCN1
InChIInChI=1S/C14H27NO3/c1-3-5-6-7-9-12(4-2)17-14(16)18-13-10-8-11-15-13/h12-13,15H,3-11H2,1-2H3
InChIKeyUEVPXFCGZGGDQX-UHFFFAOYSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

nonan-2-yl piperidin-2-yl carbonate
CID 54506928
hexyl pyrrolidin-2-yl carbonate
CID 54505278
tetradecan-3-yl cyclobutanecarboxylate
CID 544011
tridecan-3-yl cyclopropanecarboxylate
CID 549494
tetradecan-3-yl cyclopropanecarboxylate
CID 549496
tetradecan-7-yl piperidine-2-carboxylate
CID 167096260
dodecan-3-yl pyrrolidin-1-yl carbonate
CID 67660860
diheptan-3-yl carbonate
CID 87131933
butyl piperidin-2-yl carbonate
CID 54057815
octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate
CID 91552183
[(3S)-nonan-3-yl] acetate
CID 76967958
henicosan-3-yl hydrogen carbonate
CID 87300438

Frequently Asked Questions

What is the IUPAC name of nonan-3-yl pyrrolidin-2-yl carbonate?
The IUPAC name of nonan-3-yl pyrrolidin-2-yl carbonate (CID 54338103) is nonan-3-yl pyrrolidin-2-yl carbonate.
What is the SMILES notation for nonan-3-yl pyrrolidin-2-yl carbonate?
The canonical SMILES for nonan-3-yl pyrrolidin-2-yl carbonate is CCCCCCC(CC)OC(=O)OC1CCCN1.
What is the InChIKey of nonan-3-yl pyrrolidin-2-yl carbonate?
The InChIKey is UEVPXFCGZGGDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-5-6-7-9-12(4-2)17-14(16)18-13-10-8-11-15-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of nonan-3-yl pyrrolidin-2-yl carbonate?
nonan-3-yl pyrrolidin-2-yl carbonate has a molecular weight of 257.37 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-3-yl pyrrolidin-2-yl carbonate is sourced from PubChem (CID 54338103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).