N-(2,3-dioxopentylidene)formamide

C6H7NO3 — CID 90748581

IUPACN-(2,3-dioxopentylidene)formamide
SMILESCCC(=O)C(=O)/C=N/C=O
InChIInChI=1S/C6H7NO3/c1-2-5(9)6(10)3-7-4-8/h3-4H,2H2,1H3/b7-3+
InChIKeySUJIYAKAFJIPJN-XVNBXDOJSA-N
MW141.13 g/mol
LogP-0.24
Rot. Bonds4

About N-(2,3-dioxopentylidene)formamide

N-(2,3-dioxopentylidene)formamide (PubChem CID 90748581) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is N-(2,3-dioxopentylidene)formamide.

Molecular Properties

Compound NameN-(2,3-dioxopentylidene)formamide
PubChem CID90748581
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC NameN-(2,3-dioxopentylidene)formamide
SMILESCCC(=O)C(=O)/C=N/C=O
InChIInChI=1S/C6H7NO3/c1-2-5(9)6(10)3-7-4-8/h3-4H,2H2,1H3/b7-3+
InChIKeySUJIYAKAFJIPJN-XVNBXDOJSA-N
XLogP-0.24
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Methyliminopentane-2,4-dione
CID 18716504
N-(4-methyl-2,3-dioxopentylidene)formamide
CID 123908529
N-(2-oxopropylidene)formamide
CID 143179516

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dioxopentylidene)formamide?
The IUPAC name of N-(2,3-dioxopentylidene)formamide (CID 90748581) is N-(2,3-dioxopentylidene)formamide.
What is the SMILES notation for N-(2,3-dioxopentylidene)formamide?
The canonical SMILES for N-(2,3-dioxopentylidene)formamide is CCC(=O)C(=O)/C=N/C=O.
What is the InChIKey of N-(2,3-dioxopentylidene)formamide?
The InChIKey is SUJIYAKAFJIPJN-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H7NO3/c1-2-5(9)6(10)3-7-4-8/h3-4H,2H2,1H3/b7-3+.
What are the key properties of N-(2,3-dioxopentylidene)formamide?
N-(2,3-dioxopentylidene)formamide has a molecular weight of 141.13 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dioxopentylidene)formamide is sourced from PubChem (CID 90748581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).