(E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine

C9H15NO — CID 175630013

IUPAC(E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine
SMILESC/N=C(C)/C=C(\C)C1COC1
InChIInChI=1S/C9H15NO/c1-7(4-8(2)10-3)9-5-11-6-9/h4,9H,5-6H2,1-3H3/b7-4+,10-8+
InChIKeyIRHULOCPZUCRBW-DAAQNPAKSA-N
MW153.22 g/mol
LogP1.67
Rot. Bonds2

About (E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine

(E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine (PubChem CID 175630013) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine
PubChem CID175630013
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine
SMILESC/N=C(C)/C=C(\C)C1COC1
InChIInChI=1S/C9H15NO/c1-7(4-8(2)10-3)9-5-11-6-9/h4,9H,5-6H2,1-3H3/b7-4+,10-8+
InChIKeyIRHULOCPZUCRBW-DAAQNPAKSA-N
XLogP1.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine?
The IUPAC name of (E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine (CID 175630013) is (E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine.
What is the SMILES notation for (E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine?
The canonical SMILES for (E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine is C/N=C(C)/C=C(\C)C1COC1.
What is the InChIKey of (E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine?
The InChIKey is IRHULOCPZUCRBW-DAAQNPAKSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(4-8(2)10-3)9-5-11-6-9/h4,9H,5-6H2,1-3H3/b7-4+,10-8+.
What are the key properties of (E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine?
(E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine has a molecular weight of 153.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-(oxetan-3-yl)pent-3-en-2-imine is sourced from PubChem (CID 175630013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).