(E)-4-morpholin-2-ylpent-3-en-2-imine

C9H16N2O — CID 123436513

IUPAC(E)-4-morpholin-2-ylpent-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C)C1CNCCO1
InChIInChI=1S/C9H16N2O/c1-7(5-8(2)10)9-6-11-3-4-12-9/h5,9-11H,3-4,6H2,1-2H3/b7-5+,10-8+
InChIKeyLRROLHCBRVVVQC-RMTFUQJTSA-N
MW168.24 g/mol
LogP0.96
Rot. Bonds2

About (E)-4-morpholin-2-ylpent-3-en-2-imine

(E)-4-morpholin-2-ylpent-3-en-2-imine (PubChem CID 123436513) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-4-morpholin-2-ylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-morpholin-2-ylpent-3-en-2-imine
PubChem CID123436513
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(E)-4-morpholin-2-ylpent-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C)C1CNCCO1
InChIInChI=1S/C9H16N2O/c1-7(5-8(2)10)9-6-11-3-4-12-9/h5,9-11H,3-4,6H2,1-2H3/b7-5+,10-8+
InChIKeyLRROLHCBRVVVQC-RMTFUQJTSA-N
XLogP0.96
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine
CID 16736003
2-(2-Methylprop-1-enyl)morpholine
CID 67801913
2-[(E)-pent-2-en-2-yl]morpholine
CID 68590208
2-Pent-2-en-2-ylmorpholine
CID 68590213
2-[(E)-hex-3-en-3-yl]morpholine
CID 68590550
2-Hex-3-en-3-ylmorpholine
CID 68590552
(4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine
CID 123988186
(2R)-2-(2-methylprop-1-enyl)morpholine
CID 130456716
N-methyl-2-[(4-methyl-2,3-dihydropyridin-6-yl)oxy]propan-1-amine
CID 156867701
2-But-2-en-2-ylmorpholine
CID 174543751
2-(4-Methylhex-2-en-2-yl)morpholine
CID 164661388

Frequently Asked Questions

What is the IUPAC name of (E)-4-morpholin-2-ylpent-3-en-2-imine?
The IUPAC name of (E)-4-morpholin-2-ylpent-3-en-2-imine (CID 123436513) is (E)-4-morpholin-2-ylpent-3-en-2-imine.
What is the SMILES notation for (E)-4-morpholin-2-ylpent-3-en-2-imine?
The canonical SMILES for (E)-4-morpholin-2-ylpent-3-en-2-imine is [H]/N=C(C)/C=C(\C)C1CNCCO1.
What is the InChIKey of (E)-4-morpholin-2-ylpent-3-en-2-imine?
The InChIKey is LRROLHCBRVVVQC-RMTFUQJTSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(5-8(2)10)9-6-11-3-4-12-9/h5,9-11H,3-4,6H2,1-2H3/b7-5+,10-8+.
What are the key properties of (E)-4-morpholin-2-ylpent-3-en-2-imine?
(E)-4-morpholin-2-ylpent-3-en-2-imine has a molecular weight of 168.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-morpholin-2-ylpent-3-en-2-imine is sourced from PubChem (CID 123436513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).