methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate

C14H13NO3 — CID 141348967

IUPACmethyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate
SMILESCOC(=O)C/N=C(/c1ccccc1)c1ccco1
InChIInChI=1S/C14H13NO3/c1-17-13(16)10-15-14(12-8-5-9-18-12)11-6-3-2-4-7-11/h2-9H,10H2,1H3/b15-14-
InChIKeyQOSIXSFQDQZCEG-PFONDFGASA-N
MW243.26 g/mol
LogP2.29
Rot. Bonds4

About methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate

methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate (PubChem CID 141348967) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate
PubChem CID141348967
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate
SMILESCOC(=O)C/N=C(/c1ccccc1)c1ccco1
InChIInChI=1S/C14H13NO3/c1-17-13(16)10-15-14(12-8-5-9-18-12)11-6-3-2-4-7-11/h2-9H,10H2,1H3/b15-14-
InChIKeyQOSIXSFQDQZCEG-PFONDFGASA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate
CID 118304725
trimethylsilyl 2-[[furan-2-yl(trimethylsilyloxy)methylidene]amino]acetate
CID 528661
methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate
CID 134893890
2-phenylethyl 2-(benzhydrylideneamino)acetate
CID 46702006
1-(furan-2-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine
CID 90457693
methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate
CID 15899479
methyl 5-[(benzhydrylideneamino)methyl]hex-5-enoate
CID 102486039
(Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid
CID 118073284
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate
CID 164888051
2-[1-(furan-2-yl)ethylideneamino]acetic acid
CID 10813658
1-O-benzyl 4-O-methyl 2-(benzhydrylideneamino)butanedioate
CID 164888054

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate?
The IUPAC name of methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate (CID 141348967) is methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate.
What is the SMILES notation for methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate?
The canonical SMILES for methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate is COC(=O)C/N=C(/c1ccccc1)c1ccco1.
What is the InChIKey of methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate?
The InChIKey is QOSIXSFQDQZCEG-PFONDFGASA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-13(16)10-15-14(12-8-5-9-18-12)11-6-3-2-4-7-11/h2-9H,10H2,1H3/b15-14-.
What are the key properties of methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate?
methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate has a molecular weight of 243.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate is sourced from PubChem (CID 141348967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).