4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide

C13H14N2O3 — CID 79210516

IUPAC4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C13H14N2O3/c14-9-2-1-8(5-9)13(16)15-10-3-4-11-12(6-10)18-7-17-11/h1-4,6,8-9H,5,7,14H2,(H,15,16)
InChIKeyZTWJKOOBHWBAIJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.26
Rot. Bonds2

About 4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide

4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210516) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide
PubChem CID79210516
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C13H14N2O3/c14-9-2-1-8(5-9)13(16)15-10-3-4-11-12(6-10)18-7-17-11/h1-4,6,8-9H,5,7,14H2,(H,15,16)
InChIKeyZTWJKOOBHWBAIJ-UHFFFAOYSA-N
XLogP1.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide
CID 77046165
3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119668947
4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide
CID 79211097
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208078
(1S,2R,4S)-N-(1,3-benzodioxol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7047583
(1S,2S,4S)-N-(1,3-benzodioxol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079799
N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 4774594
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(1,3-benzodioxol-5-yl)-1,1-dioxothiane-4-carboxamide
CID 110863226
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide (CID 79210516) is 4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is ZTWJKOOBHWBAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-9-2-1-8(5-9)13(16)15-10-3-4-11-12(6-10)18-7-17-11/h1-4,6,8-9H,5,7,14H2,(H,15,16).
What are the key properties of 4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).