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

C14H18N2O — CID 15297627

IUPAC(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one
SMILESCCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C14H18N2O/c1-5-11-10(4)14(17)16-13(11)7-12-8(2)6-9(3)15-12/h6-7,15H,5H2,1-4H3,(H,16,17)/b13-7-
InChIKeyGHKCBXUDTDLRRM-QPEQYQDCSA-N
MW230.31 g/mol
LogP2.83
Rot. Bonds2

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

(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one (PubChem CID 15297627) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one.

Molecular Properties

Compound Name(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one
PubChem CID15297627
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one
SMILESCCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C14H18N2O/c1-5-11-10(4)14(17)16-13(11)7-12-8(2)6-9(3)15-12/h6-7,15H,5H2,1-4H3,(H,16,17)/b13-7-
InChIKeyGHKCBXUDTDLRRM-QPEQYQDCSA-N
XLogP2.83
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(5Z)-3-butyl-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-2-one
CID 11615854
(5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one
CID 24766671
2-[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl]acetic acid
CID 101348377
(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
(5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
CID 10538284
(5E)-5-[[3,4-diethyl-5-(2-methylbenzoyl)-1H-pyrrol-2-yl]methylidene]-3,4-diethylpyrrol-2-one
CID 102099901
(5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one
CID 10529931
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-hydroxy-1H-indol-2-one
CID 16725932
(3E)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 5353977
3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole
CID 123577468
(3Z)-4-bromo-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 143515088
3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3a,4-dihydro-1H-indol-2-one
CID 141082946

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one?
The IUPAC name of (5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one (CID 15297627) is (5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one.
What is the SMILES notation for (5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one?
The canonical SMILES for (5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one is CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)cc1C.
What is the InChIKey of (5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one?
The InChIKey is GHKCBXUDTDLRRM-QPEQYQDCSA-N. The full InChI is InChI=1S/C14H18N2O/c1-5-11-10(4)14(17)16-13(11)7-12-8(2)6-9(3)15-12/h6-7,15H,5H2,1-4H3,(H,16,17)/b13-7-.
What are the key properties of (5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one?
(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one is sourced from PubChem (CID 15297627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).