[(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine

C13H19NO — CID 134408168

IUPAC[(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine
SMILESCC1=CC/C(=C2\CCC[C@@H](CN)O2)C=C1
InChIInChI=1S/C13H19NO/c1-10-5-7-11(8-6-10)13-4-2-3-12(9-14)15-13/h5-7,12H,2-4,8-9,14H2,1H3/b13-11+/t12-/m0/s1
InChIKeyJBIYWVALWWYROG-OWRWYXLESA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds1

About [(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine

[(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine (PubChem CID 134408168) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine
PubChem CID134408168
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine
SMILESCC1=CC/C(=C2\CCC[C@@H](CN)O2)C=C1
InChIInChI=1S/C13H19NO/c1-10-5-7-11(8-6-10)13-4-2-3-12(9-14)15-13/h5-7,12H,2-4,8-9,14H2,1H3/b13-11+/t12-/m0/s1
InChIKeyJBIYWVALWWYROG-OWRWYXLESA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine?
The IUPAC name of [(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine (CID 134408168) is [(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine.
What is the SMILES notation for [(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine?
The canonical SMILES for [(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine is CC1=CC/C(=C2\CCC[C@@H](CN)O2)C=C1.
What is the InChIKey of [(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine?
The InChIKey is JBIYWVALWWYROG-OWRWYXLESA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-7-11(8-6-10)13-4-2-3-12(9-14)15-13/h5-7,12H,2-4,8-9,14H2,1H3/b13-11+/t12-/m0/s1.
What are the key properties of [(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine?
[(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine is sourced from PubChem (CID 134408168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).