N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide

C11H15N3O3 — CID 89101657

IUPACN-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide
SMILESC=C1C=CC(=O)N1C(C)C(=O)NC(C)NC=O
InChIInChI=1S/C11H15N3O3/c1-7-4-5-10(16)14(7)8(2)11(17)13-9(3)12-6-15/h4-6,8-9H,1H2,2-3H3,(H,12,15)(H,13,17)
InChIKeyAPUVIGQRNXZLJW-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.50
Rot. Bonds5

About N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide

N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide (PubChem CID 89101657) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide
PubChem CID89101657
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide
SMILESC=C1C=CC(=O)N1C(C)C(=O)NC(C)NC=O
InChIInChI=1S/C11H15N3O3/c1-7-4-5-10(16)14(7)8(2)11(17)13-9(3)12-6-15/h4-6,8-9H,1H2,2-3H3,(H,12,15)(H,13,17)
InChIKeyAPUVIGQRNXZLJW-UHFFFAOYSA-N
XLogP-0.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide?
The IUPAC name of N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide (CID 89101657) is N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide?
The canonical SMILES for N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide is C=C1C=CC(=O)N1C(C)C(=O)NC(C)NC=O.
What is the InChIKey of N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide?
The InChIKey is APUVIGQRNXZLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-4-5-10(16)14(7)8(2)11(17)13-9(3)12-6-15/h4-6,8-9H,1H2,2-3H3,(H,12,15)(H,13,17).
What are the key properties of N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide?
N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide has a molecular weight of 237.26 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide is sourced from PubChem (CID 89101657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).