4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide

C13H22N2O2 — CID 79207915

IUPAC4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H22N2O2/c1-15(9-10-4-6-17-7-5-10)13(16)11-2-3-12(14)8-11/h2-3,10-12H,4-9,14H2,1H3
InChIKeyPLLRKAGRZDKRFZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.77
Rot. Bonds3

About 4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207915) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79207915
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H22N2O2/c1-15(9-10-4-6-17-7-5-10)13(16)11-2-3-12(14)8-11/h2-3,10-12H,4-9,14H2,1H3
InChIKeyPLLRKAGRZDKRFZ-UHFFFAOYSA-N
XLogP0.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
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-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide (CID 79207915) is 4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide is CN(CC1CCOCC1)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is PLLRKAGRZDKRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(9-10-4-6-17-7-5-10)13(16)11-2-3-12(14)8-11/h2-3,10-12H,4-9,14H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).