4-ethanimidoylpyrrolidin-3-imine

C6H11N3 — CID 90898672

IUPAC4-ethanimidoylpyrrolidin-3-imine
SMILES[H]/N=C1\CNCC1/C(C)=N/[H]
InChIInChI=1S/C6H11N3/c1-4(7)5-2-9-3-6(5)8/h5,7-9H,2-3H2,1H3/b7-4+,8-6+
InChIKeyHBUSEPJZBANFBI-IJYBVRAASA-N
MW125.17 g/mol
LogP0.27
Rot. Bonds1

About 4-ethanimidoylpyrrolidin-3-imine

4-ethanimidoylpyrrolidin-3-imine (PubChem CID 90898672) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-ethanimidoylpyrrolidin-3-imine.

Molecular Properties

Compound Name4-ethanimidoylpyrrolidin-3-imine
PubChem CID90898672
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4-ethanimidoylpyrrolidin-3-imine
SMILES[H]/N=C1\CNCC1/C(C)=N/[H]
InChIInChI=1S/C6H11N3/c1-4(7)5-2-9-3-6(5)8/h5,7-9H,2-3H2,1H3/b7-4+,8-6+
InChIKeyHBUSEPJZBANFBI-IJYBVRAASA-N
XLogP0.27
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-Methyliminopyrrolidin-1-ium-3-yl)methylazanium
CID 20633763
(4-Methyliminopyrrolidin-3-yl)methanamine
CID 20633764
(E)-4-ethyl-N-methoxypyrrolidin-3-imine
CID 20697379
5-pyrrolidin-3-yl-4H-triazole
CID 58438948
4-ethyl-N-methylpyrrolidin-3-imine
CID 58961674
N,4-dimethylpyrrolidin-3-imine
CID 59024451
(Z)-4-ethyl-N-methoxypyrrolidin-3-imine
CID 59971456
2,3,3a,4,5,6-Hexahydropyrrolo[2,3-c]pyrrole
CID 67794328
3,4,4a,5,6,7-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 70108552
4-Methylpyrrolidin-3-imine
CID 70149418
[(2S,4S)-4-methylpyrrolidin-2-yl]methanimine
CID 89393755
1-Piperidin-4-ylethanimine
CID 90802186

Frequently Asked Questions

What is the IUPAC name of 4-ethanimidoylpyrrolidin-3-imine?
The IUPAC name of 4-ethanimidoylpyrrolidin-3-imine (CID 90898672) is 4-ethanimidoylpyrrolidin-3-imine.
What is the SMILES notation for 4-ethanimidoylpyrrolidin-3-imine?
The canonical SMILES for 4-ethanimidoylpyrrolidin-3-imine is [H]/N=C1\CNCC1/C(C)=N/[H].
What is the InChIKey of 4-ethanimidoylpyrrolidin-3-imine?
The InChIKey is HBUSEPJZBANFBI-IJYBVRAASA-N. The full InChI is InChI=1S/C6H11N3/c1-4(7)5-2-9-3-6(5)8/h5,7-9H,2-3H2,1H3/b7-4+,8-6+.
What are the key properties of 4-ethanimidoylpyrrolidin-3-imine?
4-ethanimidoylpyrrolidin-3-imine has a molecular weight of 125.17 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoylpyrrolidin-3-imine is sourced from PubChem (CID 90898672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).