1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide

C11H18N4O2 — CID 54199159

IUPAC1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide
SMILES[H]/N=C(\C)N1CCC1C(=O)NC1CCN(C=O)C1
InChIInChI=1S/C11H18N4O2/c1-8(12)15-5-3-10(15)11(17)13-9-2-4-14(6-9)7-16/h7,9-10,12H,2-6H2,1H3,(H,13,17)/b12-8+
InChIKeyPNZMDFQHPHROFD-XYOKQWHBSA-N
MW238.29 g/mol
LogP-0.60
Rot. Bonds3

About 1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide

1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide (PubChem CID 54199159) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide.

Molecular Properties

Compound Name1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide
PubChem CID54199159
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide
SMILES[H]/N=C(\C)N1CCC1C(=O)NC1CCN(C=O)C1
InChIInChI=1S/C11H18N4O2/c1-8(12)15-5-3-10(15)11(17)13-9-2-4-14(6-9)7-16/h7,9-10,12H,2-6H2,1H3,(H,13,17)/b12-8+
InChIKeyPNZMDFQHPHROFD-XYOKQWHBSA-N
XLogP-0.60
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide
CID 145062512
methyl N-(1-formylpiperidin-3-yl)carbamate
CID 145026551
N-(1-formylpiperidin-4-yl)cyclopropanecarboxamide
CID 64992853
N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 141160513
4-(1-aminoethylideneamino)-N-(1-formylpyrrolidin-3-yl)benzamide
CID 54501968
(1-formylpiperidin-4-yl)carbamic acid
CID 23075371
1-formyl-N-methylpyrrolidine-3-carboxamide
CID 87281380
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
CID 145062579
4-(propan-2-ylamino)piperidine-1-carbaldehyde
CID 90863805
3-hydroxypyrrolidine-1-carbaldehyde
CID 14456871
2-[acetyl-(1-formylpiperidin-4-yl)amino]acetic acid;ethane
CID 170716042

Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide?
The IUPAC name of 1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide (CID 54199159) is 1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide.
What is the SMILES notation for 1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide?
The canonical SMILES for 1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide is [H]/N=C(\C)N1CCC1C(=O)NC1CCN(C=O)C1.
What is the InChIKey of 1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide?
The InChIKey is PNZMDFQHPHROFD-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(12)15-5-3-10(15)11(17)13-9-2-4-14(6-9)7-16/h7,9-10,12H,2-6H2,1H3,(H,13,17)/b12-8+.
What are the key properties of 1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide?
1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide is sourced from PubChem (CID 54199159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).