N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide

C19H25N3O4 — CID 119566588

IUPACN-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide
SMILESNCC1(NC(=O)C2CCN(c3ccc4c(c3)OCCO4)C2=O)CCCC1
InChIInChI=1S/C19H25N3O4/c20-12-19(6-1-2-7-19)21-17(23)14-5-8-22(18(14)24)13-3-4-15-16(11-13)26-10-9-25-15/h3-4,11,14H,1-2,5-10,12,20H2,(H,21,23)
InChIKeyLEHBJQFWEYTNTA-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.20
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide

N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 119566588) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide
PubChem CID119566588
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide
SMILESNCC1(NC(=O)C2CCN(c3ccc4c(c3)OCCO4)C2=O)CCCC1
InChIInChI=1S/C19H25N3O4/c20-12-19(6-1-2-7-19)21-17(23)14-5-8-22(18(14)24)13-3-4-15-16(11-13)26-10-9-25-15/h3-4,11,14H,1-2,5-10,12,20H2,(H,21,23)
InChIKeyLEHBJQFWEYTNTA-UHFFFAOYSA-N
XLogP1.20
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide (CID 119566588) is N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide is NCC1(NC(=O)C2CCN(c3ccc4c(c3)OCCO4)C2=O)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is LEHBJQFWEYTNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c20-12-19(6-1-2-7-19)21-17(23)14-5-8-22(18(14)24)13-3-4-15-16(11-13)26-10-9-25-15/h3-4,11,14H,1-2,5-10,12,20H2,(H,21,23).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119566588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).