(4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione

C16H19NO3 — CID 10061844

IUPAC(4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione
SMILESCCCN1C(=O)C[C@H]2c3c(cccc3OC)C[C@H]2C1=O
InChIInChI=1S/C16H19NO3/c1-3-7-17-14(18)9-11-12(16(17)19)8-10-5-4-6-13(20-2)15(10)11/h4-6,11-12H,3,7-9H2,1-2H3/t11-,12-/m1/s1
InChIKeySGGNZTQBLKOLGT-VXGBXAGGSA-N
MW273.33 g/mol
LogP2.12
Rot. Bonds3

About (4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione

(4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione (PubChem CID 10061844) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione.

Molecular Properties

Compound Name(4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione
PubChem CID10061844
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione
SMILESCCCN1C(=O)C[C@H]2c3c(cccc3OC)C[C@H]2C1=O
InChIInChI=1S/C16H19NO3/c1-3-7-17-14(18)9-11-12(16(17)19)8-10-5-4-6-13(20-2)15(10)11/h4-6,11-12H,3,7-9H2,1-2H3/t11-,12-/m1/s1
InChIKeySGGNZTQBLKOLGT-VXGBXAGGSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione with MolForge

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Related Compounds

(3aR,9bS)-9-methoxy-3-propyl-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-one
CID 10038193
8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride
CID 67755038
2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione
CID 15662343
(3aR,9bS)-9-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole;hydrochloride
CID 67720360
9-methoxy-2-methyl-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 23190066
1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 53242430
6-(2-hydroxy-6-methoxyphenyl)-2,8-dipropyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CID 4116328
(2R)-2-(2,6-dimethoxyphenyl)-1-propylpyrrolidine
CID 124500725
(1S,7R)-4-[4-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 10027192
(3aS,7aR)-5,6-dimethyl-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2225697
2-[(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)methyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione
CID 118593700
8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione
CID 15662368

Frequently Asked Questions

What is the IUPAC name of (4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione?
The IUPAC name of (4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione (CID 10061844) is (4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione.
What is the SMILES notation for (4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione?
The canonical SMILES for (4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione is CCCN1C(=O)C[C@H]2c3c(cccc3OC)C[C@H]2C1=O.
What is the InChIKey of (4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione?
The InChIKey is SGGNZTQBLKOLGT-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-7-17-14(18)9-11-12(16(17)19)8-10-5-4-6-13(20-2)15(10)11/h4-6,11-12H,3,7-9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione?
(4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione has a molecular weight of 273.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione is sourced from PubChem (CID 10061844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).