(Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane

C13H23NO — CID 155697921

IUPAC(Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane
SMILESC/C=C(\N=C(/C)C1CCC1)C(C)=O.CC
InChIInChI=1S/C11H17NO.C2H6/c1-4-11(9(3)13)12-8(2)10-6-5-7-10;1-2/h4,10H,5-7H2,1-3H3;1-2H3/b11-4-,12-8+;
InChIKeyLACIOBCUEBWKME-VBZBLFJGSA-N
MW209.33 g/mol
LogP3.77
Rot. Bonds3

About (Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane

(Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane (PubChem CID 155697921) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane.

Molecular Properties

Compound Name(Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane
PubChem CID155697921
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane
SMILESC/C=C(\N=C(/C)C1CCC1)C(C)=O.CC
InChIInChI=1S/C11H17NO.C2H6/c1-4-11(9(3)13)12-8(2)10-6-5-7-10;1-2/h4,10H,5-7H2,1-3H3;1-2H3/b11-4-,12-8+;
InChIKeyLACIOBCUEBWKME-VBZBLFJGSA-N
XLogP3.77
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane?
The IUPAC name of (Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane (CID 155697921) is (Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane.
What is the SMILES notation for (Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane?
The canonical SMILES for (Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane is C/C=C(\N=C(/C)C1CCC1)C(C)=O.CC.
What is the InChIKey of (Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane?
The InChIKey is LACIOBCUEBWKME-VBZBLFJGSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-4-11(9(3)13)12-8(2)10-6-5-7-10;1-2/h4,10H,5-7H2,1-3H3;1-2H3/b11-4-,12-8+;.
What are the key properties of (Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane?
(Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane has a molecular weight of 209.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane is sourced from PubChem (CID 155697921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).