4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one

C21H27N3O3 — CID 84580194

IUPAC4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCOc1ccc2[nH]c(C)c3c2c1CN(C(=O)C1CC(=O)N(C(C)C)C1)CC3
InChIInChI=1S/C21H27N3O3/c1-12(2)24-10-14(9-19(24)25)21(26)23-8-7-15-13(3)22-17-5-6-18(27-4)16(11-23)20(15)17/h5-6,12,14,22H,7-11H2,1-4H3
InChIKeyJSCFTPVGHLXGSP-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.63
Rot. Bonds3

About 4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one

4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 84580194) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID84580194
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCOc1ccc2[nH]c(C)c3c2c1CN(C(=O)C1CC(=O)N(C(C)C)C1)CC3
InChIInChI=1S/C21H27N3O3/c1-12(2)24-10-14(9-19(24)25)21(26)23-8-7-15-13(3)22-17-5-6-18(27-4)16(11-23)20(15)17/h5-6,12,14,22H,7-11H2,1-4H3
InChIKeyJSCFTPVGHLXGSP-UHFFFAOYSA-N
XLogP2.63
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one with MolForge

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Related Compounds

methyl 6-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84580268
(4R)-4-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400875
4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 108754227
3,4-dimethoxy-N-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 108935278
4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 106671002
4-[4-(3-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108544915
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177
1-(3-methoxyphenyl)-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one
CID 42946859
4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108750075
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-methylbutyl)pyrrolidin-2-one
CID 113185612
(4R)-4-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 94664366

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one (CID 84580194) is 4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one is COc1ccc2[nH]c(C)c3c2c1CN(C(=O)C1CC(=O)N(C(C)C)C1)CC3.
What is the InChIKey of 4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is JSCFTPVGHLXGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-12(2)24-10-14(9-19(24)25)21(26)23-8-7-15-13(3)22-17-5-6-18(27-4)16(11-23)20(15)17/h5-6,12,14,22H,7-11H2,1-4H3.
What are the key properties of 4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-2-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-10-carbonyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 84580194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).