ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate

C14H20N4O2 — CID 156516198

IUPACethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
SMILESC=C/C(C)=N/NC(C(=O)OCC)c1ncn2c1CCC2
InChIInChI=1S/C14H20N4O2/c1-4-10(3)16-17-13(14(19)20-5-2)12-11-7-6-8-18(11)9-15-12/h4,9,13,17H,1,5-8H2,2-3H3/b16-10+
InChIKeyLVUHUOZZHKZTTK-MHWRWJLKSA-N
MW276.34 g/mol
LogP1.59
Rot. Bonds6

About ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate

ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate (PubChem CID 156516198) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
PubChem CID156516198
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nameethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
SMILESC=C/C(C)=N/NC(C(=O)OCC)c1ncn2c1CCC2
InChIInChI=1S/C14H20N4O2/c1-4-10(3)16-17-13(14(19)20-5-2)12-11-7-6-8-18(11)9-15-12/h4,9,13,17H,1,5-8H2,2-3H3/b16-10+
InChIKeyLVUHUOZZHKZTTK-MHWRWJLKSA-N
XLogP1.59
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate?
The IUPAC name of ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate (CID 156516198) is ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate is C=C/C(C)=N/NC(C(=O)OCC)c1ncn2c1CCC2.
What is the InChIKey of ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate?
The InChIKey is LVUHUOZZHKZTTK-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-10(3)16-17-13(14(19)20-5-2)12-11-7-6-8-18(11)9-15-12/h4,9,13,17H,1,5-8H2,2-3H3/b16-10+.
What are the key properties of ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate?
ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate has a molecular weight of 276.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate is sourced from PubChem (CID 156516198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).