(Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal

C14H22N2O3 — CID 156720198

IUPAC(Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal
SMILESC=NO/C(=C\CCC(C=O)CCNC)C1C(=O)C1C
InChIInChI=1S/C14H22N2O3/c1-10-13(14(10)18)12(19-16-3)6-4-5-11(9-17)7-8-15-2/h6,9-11,13,15H,3-5,7-8H2,1-2H3/b12-6-
InChIKeyWZRNTVQPRSMVFM-SDQBBNPISA-N
MW266.34 g/mol
LogP1.54
Rot. Bonds10

About (Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal

(Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal (PubChem CID 156720198) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal.

Molecular Properties

Compound Name(Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal
PubChem CID156720198
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal
SMILESC=NO/C(=C\CCC(C=O)CCNC)C1C(=O)C1C
InChIInChI=1S/C14H22N2O3/c1-10-13(14(10)18)12(19-16-3)6-4-5-11(9-17)7-8-15-2/h6,9-11,13,15H,3-5,7-8H2,1-2H3/b12-6-
InChIKeyWZRNTVQPRSMVFM-SDQBBNPISA-N
XLogP1.54
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal?
The IUPAC name of (Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal (CID 156720198) is (Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal.
What is the SMILES notation for (Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal?
The canonical SMILES for (Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal is C=NO/C(=C\CCC(C=O)CCNC)C1C(=O)C1C.
What is the InChIKey of (Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal?
The InChIKey is WZRNTVQPRSMVFM-SDQBBNPISA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-13(14(10)18)12(19-16-3)6-4-5-11(9-17)7-8-15-2/h6,9-11,13,15H,3-5,7-8H2,1-2H3/b12-6-.
What are the key properties of (Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal?
(Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal has a molecular weight of 266.34 g/mol, XLogP of 1.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal is sourced from PubChem (CID 156720198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).