N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide

C12H10N2O3 — CID 129451556

IUPACN-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide
SMILESC=CC(=O)NC1(N)C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H10N2O3/c1-2-9(15)14-12(13)10(16)7-5-3-4-6-8(7)11(12)17/h2-6H,1,13H2,(H,14,15)
InChIKeyMMGRMAVNIMXXGE-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.02
Rot. Bonds2

About N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide

N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide (PubChem CID 129451556) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide
PubChem CID129451556
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC NameN-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide
SMILESC=CC(=O)NC1(N)C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H10N2O3/c1-2-9(15)14-12(13)10(16)7-5-3-4-6-8(7)11(12)17/h2-6H,1,13H2,(H,14,15)
InChIKeyMMGRMAVNIMXXGE-UHFFFAOYSA-N
XLogP0.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide?
The IUPAC name of N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide (CID 129451556) is N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide is C=CC(=O)NC1(N)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide?
The InChIKey is MMGRMAVNIMXXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-2-9(15)14-12(13)10(16)7-5-3-4-6-8(7)11(12)17/h2-6H,1,13H2,(H,14,15).
What are the key properties of N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide?
N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide has a molecular weight of 230.22 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,3-dioxoinden-2-yl)prop-2-enamide is sourced from PubChem (CID 129451556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).