2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide

C10H18N4O2 — CID 54315072

IUPAC2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide
SMILES[H]/N=C(\C)N(C)CC(=O)NC1CCN(C=O)C1
InChIInChI=1S/C10H18N4O2/c1-8(11)13(2)6-10(16)12-9-3-4-14(5-9)7-15/h7,9,11H,3-6H2,1-2H3,(H,12,16)/b11-8+
InChIKeySNPBVEIOLDIBCI-DHZHZOJOSA-N
MW226.28 g/mol
LogP-0.74
Rot. Bonds4

About 2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide

2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide (PubChem CID 54315072) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide
PubChem CID54315072
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide
SMILES[H]/N=C(\C)N(C)CC(=O)NC1CCN(C=O)C1
InChIInChI=1S/C10H18N4O2/c1-8(11)13(2)6-10(16)12-9-3-4-14(5-9)7-15/h7,9,11H,3-6H2,1-2H3,(H,12,16)/b11-8+
InChIKeySNPBVEIOLDIBCI-DHZHZOJOSA-N
XLogP-0.74
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.74
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

(2S)-2-amino-N-methanimidoyl-N-pyrrolidin-3-ylpropanamide
CID 21305432
1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-3-carboxamide
CID 53705198
N-(1-formylpyrrolidin-3-yl)-2-[methanimidoyl(methyl)amino]acetamide
CID 53766014
2-[carbamimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)-N-methylacetamide
CID 53857095
2-[[amino(dimethylamino)methylidene]amino]-N-(1-formylpyrrolidin-3-yl)acetamide
CID 54186495
1-ethanimidoyl-N-(1-formylpyrrolidin-3-yl)azetidine-2-carboxamide
CID 54199159
N-[1-(2-amino-2-carbamimidoyliminoacetyl)pyrrolidin-3-yl]acetamide
CID 123950956
N-ethyl-2-(2-iminopyrrolidin-1-yl)acetamide
CID 43566366
2-(2-iminopyrrolidin-1-yl)-N-propylacetamide
CID 43567421
2-(2-iminopyrrolidin-1-yl)-N-propan-2-ylacetamide
CID 43567925
2-(2-iminopyrrolidin-1-yl)-N-methylpropanamide
CID 61464900
N-ethyl-2-(2-iminopyrrolidin-1-yl)propanamide
CID 61480036

Frequently Asked Questions

What is the IUPAC name of 2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide (CID 54315072) is 2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide is [H]/N=C(\C)N(C)CC(=O)NC1CCN(C=O)C1.
What is the InChIKey of 2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide?
The InChIKey is SNPBVEIOLDIBCI-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(11)13(2)6-10(16)12-9-3-4-14(5-9)7-15/h7,9,11H,3-6H2,1-2H3,(H,12,16)/b11-8+.
What are the key properties of 2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide?
2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide has a molecular weight of 226.28 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethanimidoyl(methyl)amino]-N-(1-formylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 54315072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).