4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide

C10H18N2O2 — CID 103156663

IUPAC4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC1CC=CC1
InChIInChI=1S/C10H18N2O2/c1-14-9(7-11)6-10(13)12-8-4-2-3-5-8/h2-3,8-9H,4-7,11H2,1H3,(H,12,13)
InChIKeyBOKZZWIQLIXRMZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.19
Rot. Bonds5

About 4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide

4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide (PubChem CID 103156663) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide
PubChem CID103156663
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC1CC=CC1
InChIInChI=1S/C10H18N2O2/c1-14-9(7-11)6-10(13)12-8-4-2-3-5-8/h2-3,8-9H,4-7,11H2,1H3,(H,12,13)
InChIKeyBOKZZWIQLIXRMZ-UHFFFAOYSA-N
XLogP0.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide?
The IUPAC name of 4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide (CID 103156663) is 4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide is COC(CN)CC(=O)NC1CC=CC1.
What is the InChIKey of 4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide?
The InChIKey is BOKZZWIQLIXRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-9(7-11)6-10(13)12-8-4-2-3-5-8/h2-3,8-9H,4-7,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide?
4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide has a molecular weight of 198.27 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopent-3-en-1-yl-3-methoxybutanamide is sourced from PubChem (CID 103156663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).