nonyl 4-amino-1-ethylpyrrole-2-carboxylate

C16H28N2O2 — CID 63450638

IUPACnonyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCCCCCCCCOC(=O)c1cc(N)cn1CC
InChIInChI=1S/C16H28N2O2/c1-3-5-6-7-8-9-10-11-20-16(19)15-12-14(17)13-18(15)4-2/h12-13H,3-11,17H2,1-2H3
InChIKeyVFDAIUAEXQIPPW-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.00
Rot. Bonds10

About nonyl 4-amino-1-ethylpyrrole-2-carboxylate

nonyl 4-amino-1-ethylpyrrole-2-carboxylate (PubChem CID 63450638) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is nonyl 4-amino-1-ethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namenonyl 4-amino-1-ethylpyrrole-2-carboxylate
PubChem CID63450638
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Namenonyl 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCCCCCCCCOC(=O)c1cc(N)cn1CC
InChIInChI=1S/C16H28N2O2/c1-3-5-6-7-8-9-10-11-20-16(19)15-12-14(17)13-18(15)4-2/h12-13H,3-11,17H2,1-2H3
InChIKeyVFDAIUAEXQIPPW-UHFFFAOYSA-N
XLogP4.00
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.00
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

6-hydroxyhexyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107706189
decyl 4-amino-1-methylpyrrole-2-carboxylate
CID 63450419
butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
4-methylpentyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61310258
3-(2,2,2-trifluoroethoxy)propyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61491739
[3-(methylamino)-3-oxopropyl] 4-amino-1-ethylpyrrole-2-carboxylate
CID 62326291
2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107913367
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
[2-oxo-2-(propylamino)ethyl] 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315096
decyl 3,5-diaminobenzoate
CID 22501528
propyl 4-bromo-1-ethylpyrrole-2-carboxylate
CID 78918335
3-imidazol-1-ylpropyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61492877

Frequently Asked Questions

What is the IUPAC name of nonyl 4-amino-1-ethylpyrrole-2-carboxylate?
The IUPAC name of nonyl 4-amino-1-ethylpyrrole-2-carboxylate (CID 63450638) is nonyl 4-amino-1-ethylpyrrole-2-carboxylate.
What is the SMILES notation for nonyl 4-amino-1-ethylpyrrole-2-carboxylate?
The canonical SMILES for nonyl 4-amino-1-ethylpyrrole-2-carboxylate is CCCCCCCCCOC(=O)c1cc(N)cn1CC.
What is the InChIKey of nonyl 4-amino-1-ethylpyrrole-2-carboxylate?
The InChIKey is VFDAIUAEXQIPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-5-6-7-8-9-10-11-20-16(19)15-12-14(17)13-18(15)4-2/h12-13H,3-11,17H2,1-2H3.
What are the key properties of nonyl 4-amino-1-ethylpyrrole-2-carboxylate?
nonyl 4-amino-1-ethylpyrrole-2-carboxylate has a molecular weight of 280.41 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 4-amino-1-ethylpyrrole-2-carboxylate is sourced from PubChem (CID 63450638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).