(5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one

C22H30N2O3 — CID 102472265

IUPAC(5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one
SMILESCCC1=C(C)C(=O)N/C1=C\c1[nH]c(C=C2COC(C)(C)OC2)c(CC)c1C
InChIInChI=1S/C22H30N2O3/c1-7-16-13(3)18(10-20-17(8-2)14(4)21(25)24-20)23-19(16)9-15-11-26-22(5,6)27-12-15/h9-10,23H,7-8,11-12H2,1-6H3,(H,24,25)/b20-10-
InChIKeyLVEGHRAAABKLLL-JMIUGGIZSA-N
MW370.49 g/mol
LogP4.25
Rot. Bonds4

About (5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one

(5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one (PubChem CID 102472265) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is (5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one.

Molecular Properties

Compound Name(5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one
PubChem CID102472265
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name(5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one
SMILESCCC1=C(C)C(=O)N/C1=C\c1[nH]c(C=C2COC(C)(C)OC2)c(CC)c1C
InChIInChI=1S/C22H30N2O3/c1-7-16-13(3)18(10-20-17(8-2)14(4)21(25)24-20)23-19(16)9-15-11-26-22(5,6)27-12-15/h9-10,23H,7-8,11-12H2,1-6H3,(H,24,25)/b20-10-
InChIKeyLVEGHRAAABKLLL-JMIUGGIZSA-N
XLogP4.25
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one?
The IUPAC name of (5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one (CID 102472265) is (5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one.
What is the SMILES notation for (5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one?
The canonical SMILES for (5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one is CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C=C2COC(C)(C)OC2)c(CC)c1C.
What is the InChIKey of (5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one?
The InChIKey is LVEGHRAAABKLLL-JMIUGGIZSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-7-16-13(3)18(10-20-17(8-2)14(4)21(25)24-20)23-19(16)9-15-11-26-22(5,6)27-12-15/h9-10,23H,7-8,11-12H2,1-6H3,(H,24,25)/b20-10-.
What are the key properties of (5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one?
(5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one has a molecular weight of 370.49 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one is sourced from PubChem (CID 102472265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).