[(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine

C9H15NO — CID 155402790

IUPAC[(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine
SMILESC/C=C1/C=C[C@@H](C)OC1CN
InChIInChI=1S/C9H15NO/c1-3-8-5-4-7(2)11-9(8)6-10/h3-5,7,9H,6,10H2,1-2H3/b8-3-/t7-,9?/m1/s1
InChIKeyXDHNTMBDYWNCIQ-QYYOSBJESA-N
MW153.22 g/mol
LogP1.23
Rot. Bonds1

About [(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine

[(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine (PubChem CID 155402790) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is [(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine.

Molecular Properties

Compound Name[(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine
PubChem CID155402790
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name[(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine
SMILESC/C=C1/C=C[C@@H](C)OC1CN
InChIInChI=1S/C9H15NO/c1-3-8-5-4-7(2)11-9(8)6-10/h3-5,7,9H,6,10H2,1-2H3/b8-3-/t7-,9?/m1/s1
InChIKeyXDHNTMBDYWNCIQ-QYYOSBJESA-N
XLogP1.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine?
The IUPAC name of [(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine (CID 155402790) is [(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine.
What is the SMILES notation for [(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine?
The canonical SMILES for [(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine is C/C=C1/C=C[C@@H](C)OC1CN.
What is the InChIKey of [(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine?
The InChIKey is XDHNTMBDYWNCIQ-QYYOSBJESA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8-5-4-7(2)11-9(8)6-10/h3-5,7,9H,6,10H2,1-2H3/b8-3-/t7-,9?/m1/s1.
What are the key properties of [(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine?
[(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine has a molecular weight of 153.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine is sourced from PubChem (CID 155402790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).