4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide

C15H18N2O3 — CID 79208078

IUPAC4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C15H18N2O3/c16-12-3-2-11(8-12)15(18)17-9-10-1-4-13-14(7-10)20-6-5-19-13/h1-4,7,11-12H,5-6,8-9,16H2,(H,17,18)
InChIKeyDHEMTBAAPIIYCI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.98
Rot. Bonds3

About 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79208078) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79208078
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C15H18N2O3/c16-12-3-2-11(8-12)15(18)17-9-10-1-4-13-14(7-10)20-6-5-19-13/h1-4,7,11-12H,5-6,8-9,16H2,(H,17,18)
InChIKeyDHEMTBAAPIIYCI-UHFFFAOYSA-N
XLogP0.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.98
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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxolane-3-carboxamide
CID 66236465
3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylurea
CID 66502369
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-4-carboxamide
CID 98037542
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-propylpyrazolidine-3-carboxamide
CID 134019435
4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide
CID 79210516
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopropanamide
CID 115175589
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 62232279
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 115179287
(2S,4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120626507
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-hydroxyacetamide
CID 115139805
3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 115214038
3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 61249787

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide (CID 79208078) is 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCc2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is DHEMTBAAPIIYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-12-3-2-11(8-12)15(18)17-9-10-1-4-13-14(7-10)20-6-5-19-13/h1-4,7,11-12H,5-6,8-9,16H2,(H,17,18).
What are the key properties of 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79208078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).