N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide

C15H12N4O4 — CID 135771128

IUPACN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3)c1ccc[nH]1
InChIInChI=1S/C15H12N4O4/c20-14(9-2-1-3-16-9)19-18-13-8-6-11-12(23-5-4-22-11)7-10(8)17-15(13)21/h1-3,6-7,16-17,21H,4-5H2/b19-18+
InChIKeyJGOUKGQJPLSXFQ-VHEBQXMUSA-N
MW312.29 g/mol
LogP2.90
Rot. Bonds2

About N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide

N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide (PubChem CID 135771128) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide
PubChem CID135771128
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC NameN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3)c1ccc[nH]1
InChIInChI=1S/C15H12N4O4/c20-14(9-2-1-3-16-9)19-18-13-8-6-11-12(23-5-4-22-11)7-10(8)17-15(13)21/h1-3,6-7,16-17,21H,4-5H2/b19-18+
InChIKeyJGOUKGQJPLSXFQ-VHEBQXMUSA-N
XLogP2.90
TPSA112.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide (CID 135771128) is N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide is O=C(/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3)c1ccc[nH]1.
What is the InChIKey of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide?
The InChIKey is JGOUKGQJPLSXFQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12N4O4/c20-14(9-2-1-3-16-9)19-18-13-8-6-11-12(23-5-4-22-11)7-10(8)17-15(13)21/h1-3,6-7,16-17,21H,4-5H2/b19-18+.
What are the key properties of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide?
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135771128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).