(Z,4E)-7-amino-4-ethylideneoct-5-en-3-one

C10H17NO — CID 143381633

IUPAC(Z,4E)-7-amino-4-ethylideneoct-5-en-3-one
SMILESC/C=C(\C=C/C(C)N)C(=O)CC
InChIInChI=1S/C10H17NO/c1-4-9(10(12)5-2)7-6-8(3)11/h4,6-8H,5,11H2,1-3H3/b7-6-,9-4+
InChIKeyXOMDMYGUFFUWHW-WSISTYIOSA-N
MW167.25 g/mol
LogP1.82
Rot. Bonds4

About (Z,4E)-7-amino-4-ethylideneoct-5-en-3-one

(Z,4E)-7-amino-4-ethylideneoct-5-en-3-one (PubChem CID 143381633) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z,4E)-7-amino-4-ethylideneoct-5-en-3-one.

Molecular Properties

Compound Name(Z,4E)-7-amino-4-ethylideneoct-5-en-3-one
PubChem CID143381633
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z,4E)-7-amino-4-ethylideneoct-5-en-3-one
SMILESC/C=C(\C=C/C(C)N)C(=O)CC
InChIInChI=1S/C10H17NO/c1-4-9(10(12)5-2)7-6-8(3)11/h4,6-8H,5,11H2,1-3H3/b7-6-,9-4+
InChIKeyXOMDMYGUFFUWHW-WSISTYIOSA-N
XLogP1.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,5E)-5-ethylidene-1,1,1-trifluoro-8-methylnon-6-ene-2,4-dione
CID 143087164
4-aminopent-2-enamide
CID 90746791
(E,4S)-4-aminopent-2-enoic acid;hydrochloride
CID 87478864
(E,3E)-3-ethylidene-6-methylhept-4-en-2-one
CID 91250506
4-methanimidoylhex-4-en-3-one
CID 155692065
methyl (4S)-4-aminopent-2-enoate
CID 91583994
(Z,3E)-6-ethoxy-3-ethylidenehept-4-en-2-one
CID 143046448
ethyl (Z)-2,5-diaminohex-3-enoate
CID 154468821
(E)-pent-3-en-2-amine
CID 13149669
ethyl 2-methylpent-3-enoate
CID 53428586
(Z)-3-ethylpent-3-en-2-amine
CID 154025587
2-aminopentan-3-one
CID 10986165

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-7-amino-4-ethylideneoct-5-en-3-one?
The IUPAC name of (Z,4E)-7-amino-4-ethylideneoct-5-en-3-one (CID 143381633) is (Z,4E)-7-amino-4-ethylideneoct-5-en-3-one.
What is the SMILES notation for (Z,4E)-7-amino-4-ethylideneoct-5-en-3-one?
The canonical SMILES for (Z,4E)-7-amino-4-ethylideneoct-5-en-3-one is C/C=C(\C=C/C(C)N)C(=O)CC.
What is the InChIKey of (Z,4E)-7-amino-4-ethylideneoct-5-en-3-one?
The InChIKey is XOMDMYGUFFUWHW-WSISTYIOSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-9(10(12)5-2)7-6-8(3)11/h4,6-8H,5,11H2,1-3H3/b7-6-,9-4+.
What are the key properties of (Z,4E)-7-amino-4-ethylideneoct-5-en-3-one?
(Z,4E)-7-amino-4-ethylideneoct-5-en-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-7-amino-4-ethylideneoct-5-en-3-one is sourced from PubChem (CID 143381633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).