2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one

C17H24N2O3 — CID 74388446

IUPAC2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
SMILESO=C(C1CC=CC2CCN(C3CC3)C(=O)C21)N1CCOCC1
InChIInChI=1S/C17H24N2O3/c20-16(18-8-10-22-11-9-18)14-3-1-2-12-6-7-19(13-4-5-13)17(21)15(12)14/h1-2,12-15H,3-11H2
InChIKeyOOIXOWZNVIDTLA-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.05
Rot. Bonds2

About 2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one

2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one (PubChem CID 74388446) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one.

Molecular Properties

Compound Name2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
PubChem CID74388446
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
SMILESO=C(C1CC=CC2CCN(C3CC3)C(=O)C21)N1CCOCC1
InChIInChI=1S/C17H24N2O3/c20-16(18-8-10-22-11-9-18)14-3-1-2-12-6-7-19(13-4-5-13)17(21)15(12)14/h1-2,12-15H,3-11H2
InChIKeyOOIXOWZNVIDTLA-UHFFFAOYSA-N
XLogP1.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one with MolForge

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Launch Full Analysis

Related Compounds

(4aS,8R,8aS)-2-butyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 24747515
(4aS,8R,8aS)-2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 25011500
(4aS,8R,8aS)-2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 25011501
N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 119034657
2-Butyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 73758328
[3-(Morpholine-4-carbonyl)-2-bicyclo[2.2.1]hept-5-enyl]-morpholin-4-ylmethanone
CID 428715
2-Cyclohexyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 68572546
(4aS,8aS)-2-cyclohexyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 70839762
(4aS,8aS)-2-butyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 70839809
(4aS,8aS)-2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 70839824
N-cyclopropyl-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 91548444
[6-(Morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
CID 3663746

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one?
The IUPAC name of 2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one (CID 74388446) is 2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one.
What is the SMILES notation for 2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one?
The canonical SMILES for 2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one is O=C(C1CC=CC2CCN(C3CC3)C(=O)C21)N1CCOCC1.
What is the InChIKey of 2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one?
The InChIKey is OOIXOWZNVIDTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(18-8-10-22-11-9-18)14-3-1-2-12-6-7-19(13-4-5-13)17(21)15(12)14/h1-2,12-15H,3-11H2.
What are the key properties of 2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one?
2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one is sourced from PubChem (CID 74388446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).