4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide

C11H20N2O — CID 79211082

IUPAC4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide
SMILESCCN(C(=O)C1C=CC(N)C1)C(C)C
InChIInChI=1S/C11H20N2O/c1-4-13(8(2)3)11(14)9-5-6-10(12)7-9/h5-6,8-10H,4,7,12H2,1-3H3
InChIKeySGEHRKSEKSXLSB-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.15
Rot. Bonds3

About 4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide

4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide (PubChem CID 79211082) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide
PubChem CID79211082
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide
SMILESCCN(C(=O)C1C=CC(N)C1)C(C)C
InChIInChI=1S/C11H20N2O/c1-4-13(8(2)3)11(14)9-5-6-10(12)7-9/h5-6,8-10H,4,7,12H2,1-3H3
InChIKeySGEHRKSEKSXLSB-UHFFFAOYSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide (CID 79211082) is 4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide is CCN(C(=O)C1C=CC(N)C1)C(C)C.
What is the InChIKey of 4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide?
The InChIKey is SGEHRKSEKSXLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-13(8(2)3)11(14)9-5-6-10(12)7-9/h5-6,8-10H,4,7,12H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide?
4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).