N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide

C10H7NO5 — CID 5487534

IUPACN-(6,7-dihydroxy-2-oxochromen-3-yl)formamide
SMILESO=CNc1cc2cc(O)c(O)cc2oc1=O
InChIInChI=1S/C10H7NO5/c12-4-11-6-1-5-2-7(13)8(14)3-9(5)16-10(6)15/h1-4,13-14H,(H,11,12)
InChIKeyCQNMQTYIULLBAS-UHFFFAOYSA-N
MW221.17 g/mol
LogP0.77
Rot. Bonds2

About N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide

N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide (PubChem CID 5487534) has the molecular formula C10H7NO5 and a molecular weight of 221.17 g/mol. Its IUPAC name is N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide.

Molecular Properties

Compound NameN-(6,7-dihydroxy-2-oxochromen-3-yl)formamide
PubChem CID5487534
Molecular FormulaC10H7NO5
Molecular Weight221.17 g/mol
Exact Mass221.03
IUPAC NameN-(6,7-dihydroxy-2-oxochromen-3-yl)formamide
SMILESO=CNc1cc2cc(O)c(O)cc2oc1=O
InChIInChI=1S/C10H7NO5/c12-4-11-6-1-5-2-7(13)8(14)3-9(5)16-10(6)15/h1-4,13-14H,(H,11,12)
InChIKeyCQNMQTYIULLBAS-UHFFFAOYSA-N
XLogP0.77
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide?
The IUPAC name of N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide (CID 5487534) is N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide.
What is the SMILES notation for N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide?
The canonical SMILES for N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide is O=CNc1cc2cc(O)c(O)cc2oc1=O.
What is the InChIKey of N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide?
The InChIKey is CQNMQTYIULLBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5/c12-4-11-6-1-5-2-7(13)8(14)3-9(5)16-10(6)15/h1-4,13-14H,(H,11,12).
What are the key properties of N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide?
N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide has a molecular weight of 221.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydroxy-2-oxochromen-3-yl)formamide is sourced from PubChem (CID 5487534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).