2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate

C11H21N3O3 — CID 91987819

IUPAC2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
SMILESCC1(C)C=C(C(=O)OCCNN)C(C)(C)N1O
InChIInChI=1S/C11H21N3O3/c1-10(2)7-8(11(3,4)14(10)16)9(15)17-6-5-13-12/h7,13,16H,5-6,12H2,1-4H3
InChIKeyWJBHGYYCJNMGEG-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.18
Rot. Bonds4

About 2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate

2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate (PubChem CID 91987819) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate.

Molecular Properties

Compound Name2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
PubChem CID91987819
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
SMILESCC1(C)C=C(C(=O)OCCNN)C(C)(C)N1O
InChIInChI=1S/C11H21N3O3/c1-10(2)7-8(11(3,4)14(10)16)9(15)17-6-5-13-12/h7,13,16H,5-6,12H2,1-4H3
InChIKeyWJBHGYYCJNMGEG-UHFFFAOYSA-N
XLogP0.18
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl) 2-ethyl-2-methylbutanoate
CID 59798831
2-(ethylamino)ethyl 4-aminobenzoate
CID 45089797
2-(methylamino)ethyl benzoate
CID 158644589
2-(propylamino)ethyl 3-chlorobenzoate
CID 82532787
propyl (3S)-3-amino-3-methyl-2H-1,2-oxazole-4-carboxylate
CID 70611900
propyl 6,6-dimethylcyclohexa-1,4-diene-1-carboxylate
CID 172774130
2-(2-methylpropylamino)ethyl 3-aminobenzoate
CID 11115
2-(ethylamino)ethyl 4-(dimethylamino)benzoate
CID 71098016
2-(propylamino)ethyl 3-acetamidobenzoate
CID 82532761
N-[2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 156530272
4-hydrazinylbutyl 4-(trifluoromethyl)benzoate
CID 176908832
2-[2-(propylamino)ethoxy]ethyl benzoate
CID 82532615

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate?
The IUPAC name of 2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate (CID 91987819) is 2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate.
What is the SMILES notation for 2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate?
The canonical SMILES for 2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate is CC1(C)C=C(C(=O)OCCNN)C(C)(C)N1O.
What is the InChIKey of 2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate?
The InChIKey is WJBHGYYCJNMGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-10(2)7-8(11(3,4)14(10)16)9(15)17-6-5-13-12/h7,13,16H,5-6,12H2,1-4H3.
What are the key properties of 2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate?
2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylethyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate is sourced from PubChem (CID 91987819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).