2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide

C14H22N2O2 — CID 143201174

IUPAC2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide
SMILESC/C(N)=C\C=C1\CC(CC(=O)NC=O)CC1(C)C
InChIInChI=1S/C14H22N2O2/c1-10(15)4-5-12-6-11(8-14(12,2)3)7-13(18)16-9-17/h4-5,9,11H,6-8,15H2,1-3H3,(H,16,17,18)/b10-4+,12-5-
InChIKeyOCXCXGWVVYFVPY-YATFHAONSA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds4

About 2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide

2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide (PubChem CID 143201174) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide
PubChem CID143201174
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide
SMILESC/C(N)=C\C=C1\CC(CC(=O)NC=O)CC1(C)C
InChIInChI=1S/C14H22N2O2/c1-10(15)4-5-12-6-11(8-14(12,2)3)7-13(18)16-9-17/h4-5,9,11H,6-8,15H2,1-3H3,(H,16,17,18)/b10-4+,12-5-
InChIKeyOCXCXGWVVYFVPY-YATFHAONSA-N
XLogP1.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide?
The IUPAC name of 2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide (CID 143201174) is 2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide.
What is the SMILES notation for 2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide?
The canonical SMILES for 2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide is C/C(N)=C\C=C1\CC(CC(=O)NC=O)CC1(C)C.
What is the InChIKey of 2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide?
The InChIKey is OCXCXGWVVYFVPY-YATFHAONSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(15)4-5-12-6-11(8-14(12,2)3)7-13(18)16-9-17/h4-5,9,11H,6-8,15H2,1-3H3,(H,16,17,18)/b10-4+,12-5-.
What are the key properties of 2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide?
2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide is sourced from PubChem (CID 143201174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).