(3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one

C18H21NO2 — CID 144700356

IUPAC(3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one
SMILESCN/C(=C(\C(C)=O)C(C)C)c1cc(-c2ccccc2)co1
InChIInChI=1S/C18H21NO2/c1-12(2)17(13(3)20)18(19-4)16-10-15(11-21-16)14-8-6-5-7-9-14/h5-12,19H,1-4H3/b18-17-
InChIKeyHDAUJCUKCFCWAE-ZCXUNETKSA-N
MW283.37 g/mol
LogP4.12
Rot. Bonds5

About (3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one

(3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one (PubChem CID 144700356) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one.

Molecular Properties

Compound Name(3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one
PubChem CID144700356
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one
SMILESCN/C(=C(\C(C)=O)C(C)C)c1cc(-c2ccccc2)co1
InChIInChI=1S/C18H21NO2/c1-12(2)17(13(3)20)18(19-4)16-10-15(11-21-16)14-8-6-5-7-9-14/h5-12,19H,1-4H3/b18-17-
InChIKeyHDAUJCUKCFCWAE-ZCXUNETKSA-N
XLogP4.12
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-phenylfuran-2-carboxylate
CID 86317318
methyl 2-methyl-3-(5-phenylfuran-3-yl)propanoate
CID 89491354
4-(4-aminophenyl)furan-2-carboxylic acid
CID 117223140
methyl 4-(4-hydroxyphenyl)furan-2-carboxylate
CID 117223143
methyl 4-(3-bromophenyl)furan-2-carboxylate
CID 117222845
4-[4-(hydroxymethyl)furan-2-yl]-3-propan-2-ylpent-3-en-2-one
CID 123803259
acetic acid;1,1'-biphenyl;zinc
CID 70522083
acetic acid;1,1'-biphenyl;ethane
CID 91464981
(5-phenylfuran-3-yl)methyl acetate
CID 102069071
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680
(2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid
CID 70652014
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one?
The IUPAC name of (3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one (CID 144700356) is (3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one.
What is the SMILES notation for (3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one?
The canonical SMILES for (3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one is CN/C(=C(\C(C)=O)C(C)C)c1cc(-c2ccccc2)co1.
What is the InChIKey of (3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one?
The InChIKey is HDAUJCUKCFCWAE-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12(2)17(13(3)20)18(19-4)16-10-15(11-21-16)14-8-6-5-7-9-14/h5-12,19H,1-4H3/b18-17-.
What are the key properties of (3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one?
(3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one has a molecular weight of 283.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methyl-3-[methylamino-(4-phenylfuran-2-yl)methylidene]pentan-2-one is sourced from PubChem (CID 144700356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).