(E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one

C10H18N2O2 — CID 12794246

IUPAC(E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one
SMILESCC(=O)/C(CN1CCOCC1)=C(\C)N
InChIInChI=1S/C10H18N2O2/c1-8(11)10(9(2)13)7-12-3-5-14-6-4-12/h3-7,11H2,1-2H3/b10-8+
InChIKeyTYPBIOVPJJOWRL-CSKARUKUSA-N
MW198.27 g/mol
LogP0.14
Rot. Bonds3

About (E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one

(E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one (PubChem CID 12794246) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one
PubChem CID12794246
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one
SMILESCC(=O)/C(CN1CCOCC1)=C(\C)N
InChIInChI=1S/C10H18N2O2/c1-8(11)10(9(2)13)7-12-3-5-14-6-4-12/h3-7,11H2,1-2H3/b10-8+
InChIKeyTYPBIOVPJJOWRL-CSKARUKUSA-N
XLogP0.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one?
The IUPAC name of (E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one (CID 12794246) is (E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one.
What is the SMILES notation for (E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one?
The canonical SMILES for (E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one is CC(=O)/C(CN1CCOCC1)=C(\C)N.
What is the InChIKey of (E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one?
The InChIKey is TYPBIOVPJJOWRL-CSKARUKUSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(11)10(9(2)13)7-12-3-5-14-6-4-12/h3-7,11H2,1-2H3/b10-8+.
What are the key properties of (E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one?
(E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one is sourced from PubChem (CID 12794246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).