disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate

C16H11NNa2O6 — CID 70381134

IUPACdisodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate
SMILESCCCc1c2[nH]c(C(=O)[O-])cc2cc2c(=O)cc(C(=O)[O-])oc12.[Na+].[Na+]
InChIInChI=1S/C16H13NO6.2Na/c1-2-3-8-13-7(5-10(17-13)15(19)20)4-9-11(18)6-12(16(21)22)23-14(8)9;;/h4-6,17H,2-3H2,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyUNAHLBLZGJENSD-UHFFFAOYSA-L
MW359.25 g/mol
LogP-6.04
Rot. Bonds4

About disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate

disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate (PubChem CID 70381134) has the molecular formula C16H11NNa2O6 and a molecular weight of 359.25 g/mol. Its IUPAC name is disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate.

Molecular Properties

Compound Namedisodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate
PubChem CID70381134
Molecular FormulaC16H11NNa2O6
Molecular Weight359.25 g/mol
Exact Mass359.04
IUPAC Namedisodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate
SMILESCCCc1c2[nH]c(C(=O)[O-])cc2cc2c(=O)cc(C(=O)[O-])oc12.[Na+].[Na+]
InChIInChI=1S/C16H13NO6.2Na/c1-2-3-8-13-7(5-10(17-13)15(19)20)4-9-11(18)6-12(16(21)22)23-14(8)9;;/h4-6,17H,2-3H2,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyUNAHLBLZGJENSD-UHFFFAOYSA-L
XLogP-6.04
TPSA126.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 5-6.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate?
The IUPAC name of disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate (CID 70381134) is disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate.
What is the SMILES notation for disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate?
The canonical SMILES for disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate is CCCc1c2[nH]c(C(=O)[O-])cc2cc2c(=O)cc(C(=O)[O-])oc12.[Na+].[Na+].
What is the InChIKey of disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate?
The InChIKey is UNAHLBLZGJENSD-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13NO6.2Na/c1-2-3-8-13-7(5-10(17-13)15(19)20)4-9-11(18)6-12(16(21)22)23-14(8)9;;/h4-6,17H,2-3H2,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2.
What are the key properties of disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate?
disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate has a molecular weight of 359.25 g/mol, XLogP of -6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-oxo-9-propyl-8H-pyrano[3,2-f]indole-2,7-dicarboxylate is sourced from PubChem (CID 70381134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).