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

C17H24N2O — CID 6443749

IUPAC(5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one
SMILESCCC1=C(CC)/C(=C/c2[nH]c(C)c(CC)c2C)NC1=O
InChIInChI=1S/C17H24N2O/c1-6-12-10(4)15(18-11(12)5)9-16-13(7-2)14(8-3)17(20)19-16/h9,18H,6-8H2,1-5H3,(H,19,20)/b16-9-
InChIKeyNJLRFTXGECXRRZ-SXGWCWSVSA-N
MW272.39 g/mol
LogP3.78
Rot. Bonds4

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

(5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one (PubChem CID 6443749) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one.

Molecular Properties

Compound Name(5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one
PubChem CID6443749
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one
SMILESCCC1=C(CC)/C(=C/c2[nH]c(C)c(CC)c2C)NC1=O
InChIInChI=1S/C17H24N2O/c1-6-12-10(4)15(18-11(12)5)9-16-13(7-2)14(8-3)17(20)19-16/h9,18H,6-8H2,1-5H3,(H,19,20)/b16-9-
InChIKeyNJLRFTXGECXRRZ-SXGWCWSVSA-N
XLogP3.78
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one?
The IUPAC name of (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one (CID 6443749) is (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one.
What is the SMILES notation for (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one?
The canonical SMILES for (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one is CCC1=C(CC)/C(=C/c2[nH]c(C)c(CC)c2C)NC1=O.
What is the InChIKey of (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one?
The InChIKey is NJLRFTXGECXRRZ-SXGWCWSVSA-N. The full InChI is InChI=1S/C17H24N2O/c1-6-12-10(4)15(18-11(12)5)9-16-13(7-2)14(8-3)17(20)19-16/h9,18H,6-8H2,1-5H3,(H,19,20)/b16-9-.
What are the key properties of (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one?
(5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-one is sourced from PubChem (CID 6443749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).