N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide

C10H13N3O3 — CID 91000367

IUPACN-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide
SMILESC=C1C=CC(=O)N1CC(=O)NCNC(C)=O
InChIInChI=1S/C10H13N3O3/c1-7-3-4-10(16)13(7)5-9(15)12-6-11-8(2)14/h3-4H,1,5-6H2,2H3,(H,11,14)(H,12,15)
InChIKeyVGLZCQLBVFSUCB-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.89
Rot. Bonds4

About N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide

N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide (PubChem CID 91000367) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide
PubChem CID91000367
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide
SMILESC=C1C=CC(=O)N1CC(=O)NCNC(C)=O
InChIInChI=1S/C10H13N3O3/c1-7-3-4-10(16)13(7)5-9(15)12-6-11-8(2)14/h3-4H,1,5-6H2,2H3,(H,11,14)(H,12,15)
InChIKeyVGLZCQLBVFSUCB-UHFFFAOYSA-N
XLogP-0.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
6-hydroxy-N-(propan-2-yl)pyridine-2-carboxamide
CID 15334838
N-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2,4-hexadienamide
CID 2053608
6-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyridin-2-one
CID 122186465
Cambridge id 5533113
CID 2850500
Pyridinedicarboximide
CID 68595150
N~1~,N~2~-dimethyl-N~2~-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]glycinamide
CID 91842553
3-amino-1-[(Z)-2-fluoro-1-(prop-2-enylamino)prop-1-enyl]pyridin-2-one
CID 142524062
N-(1-Methyl-2-oxo-1,2-dihydro-3-pyridinyl)acetamide
CID 326860
1,3-Dimethyl-5-hydro-4-imidazolino[4,5-c]pyridine-2,4-dione
CID 12429098
1,3-Dimethyl-5-allylaminouracil
CID 13546429
1,3-Diethyl-1h-imidazo[4,5-b]pyridine-2,5(3h,4h)-dione
CID 129757255

Frequently Asked Questions

What is the IUPAC name of N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide?
The IUPAC name of N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide (CID 91000367) is N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide.
What is the SMILES notation for N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide?
The canonical SMILES for N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide is C=C1C=CC(=O)N1CC(=O)NCNC(C)=O.
What is the InChIKey of N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide?
The InChIKey is VGLZCQLBVFSUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7-3-4-10(16)13(7)5-9(15)12-6-11-8(2)14/h3-4H,1,5-6H2,2H3,(H,11,14)(H,12,15).
What are the key properties of N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide?
N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide has a molecular weight of 223.23 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetamidomethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide is sourced from PubChem (CID 91000367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).