(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone

C15H18N2O — CID 64766494

IUPAC(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone
SMILESNc1cccc2c1CCN(C(=O)C1CC=CC1)C2
InChIInChI=1S/C15H18N2O/c16-14-7-3-6-12-10-17(9-8-13(12)14)15(18)11-4-1-2-5-11/h1-3,6-7,11H,4-5,8-10,16H2
InChIKeyQIWMFQFRNJJKGE-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.12
Rot. Bonds1

About (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone

(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone (PubChem CID 64766494) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone
PubChem CID64766494
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone
SMILESNc1cccc2c1CCN(C(=O)C1CC=CC1)C2
InChIInChI=1S/C15H18N2O/c16-14-7-3-6-12-10-17(9-8-13(12)14)15(18)11-4-1-2-5-11/h1-3,6-7,11H,4-5,8-10,16H2
InChIKeyQIWMFQFRNJJKGE-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone?
The IUPAC name of (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone (CID 64766494) is (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone.
What is the SMILES notation for (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone?
The canonical SMILES for (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone is Nc1cccc2c1CCN(C(=O)C1CC=CC1)C2.
What is the InChIKey of (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone?
The InChIKey is QIWMFQFRNJJKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-14-7-3-6-12-10-17(9-8-13(12)14)15(18)11-4-1-2-5-11/h1-3,6-7,11H,4-5,8-10,16H2.
What are the key properties of (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone?
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone has a molecular weight of 242.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone is sourced from PubChem (CID 64766494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).