1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide

C18H15N3O5 — CID 135795955

IUPAC1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide
SMILESC=CCn1c(O)c2ccc(C(=O)/N=N/C(=O)c3ccoc3C)cc2c1O
InChIInChI=1S/C18H15N3O5/c1-3-7-21-17(24)13-5-4-11(9-14(13)18(21)25)15(22)19-20-16(23)12-6-8-26-10(12)2/h3-6,8-9,24-25H,1,7H2,2H3/b20-19+
InChIKeyKNZPTOHMSRTMFU-FMQUCBEESA-N
MW353.33 g/mol
LogP3.57
Rot. Bonds4

About 1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide

1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide (PubChem CID 135795955) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is 1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide
PubChem CID135795955
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide
SMILESC=CCn1c(O)c2ccc(C(=O)/N=N/C(=O)c3ccoc3C)cc2c1O
InChIInChI=1S/C18H15N3O5/c1-3-7-21-17(24)13-5-4-11(9-14(13)18(21)25)15(22)19-20-16(23)12-6-8-26-10(12)2/h3-6,8-9,24-25H,1,7H2,2H3/b20-19+
InChIKeyKNZPTOHMSRTMFU-FMQUCBEESA-N
XLogP3.57
TPSA117.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylbenzoyl)imino-1,3-dihydroxy-2-prop-2-enylisoindole-5-carboxamide
CID 135840326
N-(2-chlorobenzoyl)imino-1,3-dihydroxy-2-prop-2-enylisoindole-5-carboxamide
CID 135574222
N-(4-chlorobenzoyl)imino-1,3-dihydroxy-2-prop-2-enylisoindole-5-carboxamide
CID 135749960
N-(1,3-benzodioxole-5-carbonylimino)-1,3-dihydroxy-2-prop-2-enylisoindole-5-carboxamide
CID 135625194
N-[(4-chlorophenyl)carbamothioylimino]-1,3-dihydroxy-2-prop-2-enylisoindole-5-carboxamide
CID 135840332
N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-prop-2-enylisoindole-5-carboxamide
CID 135781180
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
2-benzyl-1,3-dihydroxy-N-(thiophene-2-carbonylimino)isoindole-5-carboxamide
CID 135723695
2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide
CID 135906528
8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
CID 97370220
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
1-hydroxy-2-prop-2-enylisoquinolin-3-one
CID 57024926

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide?
The IUPAC name of 1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide (CID 135795955) is 1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide.
What is the SMILES notation for 1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide?
The canonical SMILES for 1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide is C=CCn1c(O)c2ccc(C(=O)/N=N/C(=O)c3ccoc3C)cc2c1O.
What is the InChIKey of 1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide?
The InChIKey is KNZPTOHMSRTMFU-FMQUCBEESA-N. The full InChI is InChI=1S/C18H15N3O5/c1-3-7-21-17(24)13-5-4-11(9-14(13)18(21)25)15(22)19-20-16(23)12-6-8-26-10(12)2/h3-6,8-9,24-25H,1,7H2,2H3/b20-19+.
What are the key properties of 1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide?
1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-N-(2-methylfuran-3-carbonyl)imino-2-prop-2-enylisoindole-5-carboxamide is sourced from PubChem (CID 135795955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).