[(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine

C7H15N3O — CID 10633199

IUPAC[(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine
SMILESCCO/N=C1\CNCC1CN
InChIInChI=1S/C7H15N3O/c1-2-11-10-7-5-9-4-6(7)3-8/h6,9H,2-5,8H2,1H3/b10-7+
InChIKeyDMBIYRSNQPUYNR-JXMROGBWSA-N
MW157.22 g/mol
LogP-0.44
Rot. Bonds3

About [(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine

[(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine (PubChem CID 10633199) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is [(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine
PubChem CID10633199
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name[(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine
SMILESCCO/N=C1\CNCC1CN
InChIInChI=1S/C7H15N3O/c1-2-11-10-7-5-9-4-6(7)3-8/h6,9H,2-5,8H2,1H3/b10-7+
InChIKeyDMBIYRSNQPUYNR-JXMROGBWSA-N
XLogP-0.44
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine?
The IUPAC name of [(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine (CID 10633199) is [(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine?
The canonical SMILES for [(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine is CCO/N=C1\CNCC1CN.
What is the InChIKey of [(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine?
The InChIKey is DMBIYRSNQPUYNR-JXMROGBWSA-N. The full InChI is InChI=1S/C7H15N3O/c1-2-11-10-7-5-9-4-6(7)3-8/h6,9H,2-5,8H2,1H3/b10-7+.
What are the key properties of [(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine?
[(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine has a molecular weight of 157.22 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine is sourced from PubChem (CID 10633199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).