N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide

C11H20N2O2 — CID 119568384

IUPACN-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide
SMILESC=CCOCC(=O)NC1(CN)CCCC1
InChIInChI=1S/C11H20N2O2/c1-2-7-15-8-10(14)13-11(9-12)5-3-4-6-11/h2H,1,3-9,12H2,(H,13,14)
InChIKeyXUYAAODLTCDHDK-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.58
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide

N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide (PubChem CID 119568384) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide
PubChem CID119568384
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide
SMILESC=CCOCC(=O)NC1(CN)CCCC1
InChIInChI=1S/C11H20N2O2/c1-2-7-15-8-10(14)13-11(9-12)5-3-4-6-11/h2H,1,3-9,12H2,(H,13,14)
InChIKeyXUYAAODLTCDHDK-UHFFFAOYSA-N
XLogP0.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide (CID 119568384) is N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide is C=CCOCC(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide?
The InChIKey is XUYAAODLTCDHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-7-15-8-10(14)13-11(9-12)5-3-4-6-11/h2H,1,3-9,12H2,(H,13,14).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide?
N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide has a molecular weight of 212.29 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-prop-2-enoxyacetamide is sourced from PubChem (CID 119568384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).